1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-
- 中文别名:舒林酸
- 中文释义:舒林酸;硫茚酸;(2)-5-氟-2-甲基-1-[(亚硫酰苯基)亚甲基]-1H-茚-3-醋酸;(Z)-5-氟-2-甲基-1-[4-(甲亚硫酰苯基)亚甲基]-1H-茚-3-醋酸
- 英文别名:sulindac;
Sudac;
Imbaral;
(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid;
mobilin;
Sulindac;
(Z)-2-(3-(4-(methylsulfinyl)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid;
MK-231;
Saldac;
AFLODAC;
Aclin;
SULREUMA;
ReuMyl;
(Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid;
Clinoril,Aflodac,Sulreuma;
SULINOL
- CAS No.:38194-50-2
- 分子式:
C20H17FO3S
- 分子量:356.41
- 精确分子量:356.08800
- PSA:73.58000
- MDL:MFCD00599589
- InChI:InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
- 分子结构式:
物化性质
- 外观与性状:
- 黄色固体
- 密度:
- 1.38 g/cm3
- 熔点:
- 182-185°C
- 沸点:
- 581.6ºC at 760 mmHg
- 闪点:
- 305.6ºC
- 折射率:
- 1.672
- 存储条件/存储方法:
密封、阴凉、干燥保存
- 稳定性相关:
常规情况下不会分解,没有危险反映
- 其它信息:
1.性状:黄色结晶
2.密度(g/mL,20ºC):未确定
3.相对蒸汽密度(g/mL,空气=1):未确定
4.熔点(ºC):182~185
5.沸点(ºC,1.1kPa):未确定
6.沸点(ºC,22mmhg):未确定
7.折射率:未确定
8.闪点(ºC):306
9.比旋光度(º):未确定
10.自燃点或引燃温度(ºC):未确定
11.蒸气压(kPa,25ºC):2E-14(25C)
12.饱和蒸气压(kPa,60ºC):未确定
13.燃烧热(KJ/mol):91.5kJ/mol
14.临界温度(ºC):未确定
15.临界压力(KPa):未确定
16.油水(辛醇/水)分配系数的对数值:未确定
17.爆炸上限(%,V/V):未确定
18.爆炸下限(%,V/V):未确定
19.溶解性:微溶于乙醇、丙酮、乙酸乙酯或氯仿,难溶于甲醇,不溶于水
安全信息
- 外观与性状:
- 黄色固体
- 密度:
- 1.38 g/cm3
- 熔点:
- 182-185°C
- 沸点:
- 581.6ºC at 760 mmHg
- 闪点:
- 305.6ºC
- 折射率:
- 1.672
- 存储条件/存储方法:
密封、阴凉、干燥保存
- 稳定性相关:
常规情况下不会分解,没有危险反映
- 其它信息:
1.性状:黄色结晶
2.密度(g/mL,20ºC):未确定
3.相对蒸汽密度(g/mL,空气=1):未确定
4.熔点(ºC):182~185
5.沸点(ºC,1.1kPa):未确定
6.沸点(ºC,22mmhg):未确定
7.折射率:未确定
8.闪点(ºC):306
9.比旋光度(º):未确定
10.自燃点或引燃温度(ºC):未确定
11.蒸气压(kPa,25ºC):2E-14(25C)
12.饱和蒸气压(kPa,60ºC):未确定
13.燃烧热(KJ/mol):91.5kJ/mol
14.临界温度(ºC):未确定
15.临界压力(KPa):未确定
16.油水(辛醇/水)分配系数的对数值:未确定
17.爆炸上限(%,V/V):未确定
18.爆炸下限(%,V/V):未确定
19.溶解性:微溶于乙醇、丙酮、乙酸乙酯或氯仿,难溶于甲醇,不溶于水
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NK8226000
- CHEMICAL NAME :
- 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methyl ene)-, (Z)-
- CAS REGISTRY NUMBER :
- 38194-50-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C20-H17-F-O3-S
- MOLECULAR WEIGHT :
- 356.43
- WISWESSER LINE NOTATION :
- L56 BYJ BU1R DSO&1& C1 D1VQ GF
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 43 mg/kg/10D-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Liver - liver function tests impaired Blood - leukopenia
- REFERENCE :
- JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 244,269,1980
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 112 mg/kg/2W-I
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting Liver - hepatitis (hepatocellular necrosis), diffuse Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 10,512,1983
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 8 mg/kg/10H-I
- TOXIC EFFECTS :
- Behavioral - anorexia (human) Behavioral - muscle contraction or spasticity Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- JCGADC Journal of Clinical Gastroenterology. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) Volume(issue)/page/year: 8,569,1986
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 34 mg/kg/6D-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - changes in potassium
- REFERENCE :
- JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 13,1084,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 264 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 30,1398,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 289 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 336 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 507 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,APP-6,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 305 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 398 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- female 13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
- REFERENCE :
- JCGBDF Journal of Craniofacial Genetics and Developmental Biology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 10,83,1990
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- female 13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
- REFERENCE :
- JCGBDF Journal of Craniofacial Genetics and Developmental Biology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 10,83,1990 *** REVIEWS *** TOXICOLOGY REVIEW DSMJAA Delaware Medical Journal. (Medical Soc. of Delaware, 1925 Lovering Ave., Wilmington, DE 19806) V.32(2)- 1960- Volume(issue)/page/year: 53,193,1981 TOXICOLOGY REVIEW REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 9,7,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5356 No. of Facilities: 81 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 4344 (estimated) No. of Female Employees: 1829 (estimated)
- 毒理学数据:
1、急性毒性:男人经口TDLo:43mg/kg;
女人经口TDLo:112mg/kg;
大鼠经口LD50:264mg/kg;
大鼠腹腔LD50:289mg/kg;
小鼠经口LD50:507mg/kg;
大鼠皮下LD50:336mg/kg;
小鼠腹腔LD50:389mg/kg;
繁殖数据
小鼠经口TDLo:4mg/kg;
小鼠肌肉TDLo:4mg/kg;
- 生态数据:
对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。
MSDS
Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Sulindac
CAS-No.: 38194-50-2
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances
Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 3)
Respiratory sensitization (Category 1)
Skin sensitization (Category 1)
Reproductive toxicity (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Harmful if swallowed. May cause sensitization by inhalation and skin contact.
Possible risk of harm to the unborn child.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H301Toxic if swallowed.
H317May cause an allergic skin reaction.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H361Suspected of damaging fertility or the unborn child.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280Wear protective gloves.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22Harmful if swallowed.
R42/43May cause sensitization by inhalation and skin contact.
R63Possible risk of harm to the unborn child.
S-phrase(s)none
Other hazards - none
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms: (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic
acid
Formula: C20H17FO3S
Molecular Weight: 356,41 g/mol
ComponentConcentration
Sulindac
CAS-No.38194-50-2-
EC-No.253-819-2
Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available
Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Sulphur oxides, Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available
Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.
Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available
Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityinsoluble
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available
Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 264 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
May cause allergic respiratory and skin reactions
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Possible risk of congenital malformation in the fetus.
Suspected human reproductive toxicant
Developmental Toxicity - mouse - Oral
Specific Developmental Abnormalities: Craniofacial (including nose and tongue).
Developmental Toxicity - mouse - Intramuscular
Specific Developmental Abnormalities: Craniofacial (including nose and tongue).
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. May cause respiratory tract irritation.
IngestionToxic if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Additional Information
RTECS: NK8226000
Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available
Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.
Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Sulindac)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Sulindac)
IATA:Toxic solid, organic, n.o.s. (Sulindac)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available
Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available
Section16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.
海关数据
中国海关编码:2930909090
- 概述:
- 2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途
- 摘要/Summary:
- 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
分子结构与计算化学数据
计算化学数据
1、疏水参数计算参考值(XlogP):3.4
2、氢键供体数量:1
3、氢键受体数量:4
4、可旋转化学键数量:4
5、拓扑分子极性表面积(TPSA):54.4
6、重原子数量:25
7、表面电荷:0
8、复杂度:616
9、同位素原子数量:0
10、确定原子立构中心数量:0
11、不确定原子立构中心数量:1
12、确定化学键立构中心数量:0
13、不确定化学键立构中心数量:0
14、共价键单元数量:1