1H-Indole-5-sulfonicacid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-,sodium salt (1:2)

物化性质

外观与性状：

紫色粉末

密度：

1.01 g/mL at 20 °C

熔点：

>300°C

水溶解性：

1 g/100 mL (25 ºC)

折射率：

n20/D 1.335

存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方

稳定性相关：

1.常温常压下稳定，避免氧化剂接触

其它信息：

1. 性状：蓝色粉末，无臭

2. 密度（g/mL,20/4℃）：1.01g/mL

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：>300°C

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：n20/D 1.335

8. 闪点（ºC）：未确定

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）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

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：溶于水1 g/100 mL (25 ºC)，溶于甘油，丙二醇，微溶于乙醇，不溶于油脂。

安全信息

外观与性状：

紫色粉末

密度：

1.01 g/mL at 20 °C

熔点：

>300°C

水溶解性：

1 g/100 mL (25 ºC)

折射率：

n20/D 1.335

存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方

稳定性相关：

1.常温常压下稳定，避免氧化剂接触

其它信息：

1. 性状：蓝色粉末，无臭

2. 密度（g/mL,20/4℃）：1.01g/mL

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：>300°C

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：n20/D 1.335

8. 闪点（ºC）：未确定

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）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

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：溶于水1 g/100 mL (25 ºC)，溶于甘油，丙二醇，微溶于乙醇，不溶于油脂。

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DU3000000

CHEMICAL NAME :

(delta(sup 2,2')-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt

CAS REGISTRY NUMBER :

860-22-0

LAST UPDATED :

199709

DATA ITEMS CITED :

16

MOLECULAR FORMULA :

C16-H8-N2-O8-S2.2Na

MOLECULAR WEIGHT :

466.36

WISWESSER LINE NOTATION :

T56 BMYVJ GSWO CU- CT56 BMYVJ GSWO &-NA- 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

93 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

405 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

9 gm/kg/2Y-I

TOXIC EFFECTS :

Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :

Cytogenetic analysis

TYPE OF TEST :

Cytogenetic analysis

TYPE OF TEST :

Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :

Cytogenetic analysis

TEST SYSTEM :

Rodent - hamster Ovary

DOSE/DURATION :

20 umol/L/5H (Continuous)

REFERENCE :

ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 1,27,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84752 No. of Facilities: 314 (estimated) No. of Industries: 5 No. of Occupations: 6 No. of Employees: 1736 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84752 No. of Facilities: 393 (estimated) No. of Industries: 7 No. of Occupations: 28 No. of Employees: 9691 (estimated) No. of Female Employees: 3035 (estimated)

毒理学数据：

急性毒性：小鼠口经LC50：2500mg/kg；大鼠口经LD50：2000mg/kg:大鼠静脉LD50：93mg/kg

生态数据：

对水是稍微有害的，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

Name:	Indigo Carmine (Cert.) Material Safety Data Sheet
Synonym:	Acid Blue 74; C.I. 73015; 5,5'-Indigodisulfonic acid, disodium salt
CAS:	860-22-0

Section 1 - Chemical Product   MSDS Name:Indigo Carmine (Cert.) Material Safety Data Sheet
Synonym:Acid Blue 74; C.I. 73015; 5,5'-Indigodisulfonic acid, disodium salt
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
860-22-0	C.I. Acid Blue 74	ca. 100	212-728-8

Hazard Symbols: XN
Risk Phrases: 22
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.Light sensitive.
Potential Health Effects
Eye:
This product contains a cationic dye. Similar dyes have caused permanent injury to the cornea and conjunctiva in documented exposure cases with human or rabbit eyes.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
SPEEDY ACTION IS CRITICAL! Skin:
Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Store protected from light.
Storage:
Keep containers tightly closed. Store protected from light. Store in a cool, dry area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 860-22-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: dark blue
Odor: Not available.
pH: Not available.
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: 1 g/100 mL @ 25C
Specific Gravity/Density: Not available.
Molecular Formula: C16H8N2Na2O8S2
Molecular Weight: 466.35
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Oxidizing agents, nitric acid.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 860-22-0: DU3000000 LD50/LC50:
CAS# 860-22-0: Oral, mouse: LD50 = 2500 mg/kg; Oral, rat: LD50 = 2 gm/kg.
Carcinogenicity:
C.I. Acid Blue 74 - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 860-22-0: 1
Canada
CAS# 860-22-0 is listed on Canada's DSL List.
CAS# 860-22-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 860-22-0 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

计算化学数据

1、 氢键供体数量：2

2、 氢键受体数量：10

3、 可旋转化学键数量：0

4、 互变异构体数量：11

5、 拓扑分子极性表面积（TPSA）：173

6、 重原子数量：30

7、 表面电荷：0

8、 复杂度：855

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：0

12、 确定化学键立构中心数量：1

13、 不确定化学键立构中心数量：0

14、 共价键单元数量：3