英语词典化工词典

4-methoxythiobenzamide

4-methoxythiobenzamide

  • 中文别名：4-甲氧基硫代苯甲酰胺
  • 中文释义：4-甲氧基硫代苯甲酰胺;4-甲氧基硫代苯甲胺
  • 英文别名：4-methoxybenzenecarbothioamide;
    4-methoxybenzene-1-carbothioamide;
    p-methoxythiobenzamide;
    4-methoxybenzoic acid thioamide;
    amino(4-methoxyphenyl)methane-1-thione;
    p-methoxyphenylthiobenzamide;
    thioanisamide;
    4-methoxythiobenzamide;
    4-methoxybenzothioamide;
    Benzenecarbothioamide,4-methoxy;
    Thio-p-anisamide 
  • CAS No.：2362-64-3
  • 分子式：

    C8H9NOS

  • 分子量：167.23
  • 精确分子量：167.04000
  • PSA：67.34000
  • MDL：MFCD00040993
  • InChI：InChI=1/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)
  • 分子结构式：

物化性质

外观与性状：
黄色粉末
密度：
1.194g/cm3
熔点：
145-149 °C(lit.)
沸点：
288.5ºC at 760mmHg
闪点：
128.3ºC
折射率：
1.619
蒸汽压：
0.00233mmHg at 25°C
存储条件/存储方法：

4°C条件下密封保存

稳定性相关：

避免氧化物接触

其它信息：

1. 性状：黄色粉末

2. 密度（g/L,25ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：145-147

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC 16mmHg）：未确定

7. 折射率（nD20）：未确定

8. 闪点（ºF）：未确定

9. 比旋光度（）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（Pa,20ºC）：未确定

12. 饱和蒸气压（kPa,20ºC）：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：不能溶解的

安全信息

外观与性状：
黄色粉末
密度：
1.194g/cm3
熔点：
145-149 °C(lit.)
沸点：
288.5ºC at 760mmHg
闪点：
128.3ºC
折射率：
1.619
蒸汽压：
0.00233mmHg at 25°C
存储条件/存储方法：

4°C条件下密封保存

稳定性相关：

避免氧化物接触

其它信息：

1. 性状：黄色粉末

2. 密度（g/L,25ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：145-147

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC 16mmHg）：未确定

7. 折射率（nD20）：未确定

8. 闪点（ºF）：未确定

9. 比旋光度（）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（Pa,20ºC）：未确定

12. 饱和蒸气压（kPa,20ºC）：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：不能溶解的

毒理性

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: 4-Methoxythiobenzamide 98% Material Safety Data Sheet
Synonym:
CAS: 2362-64-3
Section 1 - Chemical Product   MSDS Name:4-Methoxythiobenzamide 98% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2362-64-3 4-Methoxythiobenzamide 98% unlisted
Hazard Symbols: XN
Risk Phrases: 20/22 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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:
Treat symptomatically and supportively.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area.
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# 2362-64-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 - 152 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H9NOS
Molecular Weight: 167.23
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2362-64-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxythiobenzamide - Not listed by ACGIH, IARC, or NTP.
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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2362-64-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2362-64-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2362-64-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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

分子结构数据

1、 摩尔折射率：49.12

2、 摩尔体积（m3/mol）：140.0

3、 等张比容（90.2K）：379.8

4、 表面张力（dyne/cm）：54.1

5、 极化率（10-24cm3）：19.47

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积67.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:141

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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