2-Methoxy-5-methylphenylisothiocyanate

物化性质

外观与性状：

透明淡黄色液体

密度：

1.146 g/mL at 25 °C(lit.)

熔点：

288ºC(lit.)

沸点：

288 °C(lit.)

闪点：

>230 °F

折射率：

n20/D 1.632(lit.)

蒸汽压：

0.00125mmHg at 25°C

存储条件/存储方法：

保存方法：密闭，阴凉，通风干燥处

稳定性相关：

避氧化物、水分、酒精、胺

其它信息：

1. 性状：黄色液体

2. 密度（g/mL,20 ºC）：1.146

3. 相对蒸汽密度（g/mL,空气=1）未确定

4. 熔点（ºC）：未确定

5. 沸点（ºC,常压）：288

6. 沸点（ºC20mmHg）：未确定

7. 折射率：n20/D 1.632

8. 闪点（ºF）：>230

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：>110

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：可水解的

安全信息

外观与性状：

透明淡黄色液体

密度：

1.146 g/mL at 25 °C(lit.)

熔点：

288ºC(lit.)

沸点：

288 °C(lit.)

闪点：

>230 °F

折射率：

n20/D 1.632(lit.)

蒸汽压：

0.00125mmHg at 25°C

存储条件/存储方法：

保存方法：密闭，阴凉，通风干燥处

稳定性相关：

避氧化物、水分、酒精、胺

其它信息：

1. 性状：黄色液体

2. 密度（g/mL,20 ºC）：1.146

3. 相对蒸汽密度（g/mL,空气=1）未确定

4. 熔点（ºC）：未确定

5. 沸点（ºC,常压）：288

6. 沸点（ºC20mmHg）：未确定

7. 折射率：n20/D 1.632

8. 闪点（ºF）：>230

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：>110

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：可水解的

毒理性

生态数据：

1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

MSDS

Name:	2-Methoxy-5-methylphenylisothiocyanate Material Safety Data Sheet
Synonym:	None
CAS:	190774-56-2

Section 1 - Chemical Product   MSDS Name:2-Methoxy-5-methylphenylisothiocyanate Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
190774-56-2	2-Methoxy-5-methylphenylisothiocyanate	97	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes and respiratory system.
Potential Health Effects
Eye:
Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.
Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. 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:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Do not breathe vapor.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 190774-56-2: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate 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: Liquid
Color: clear yellow
Odor: mustard-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 288 deg C @ 760 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: 1.14
Molecular Formula: C9H9NOS
Molecular Weight: 179.20
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 190774-56-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methoxy-5-methylphenylisothiocyanate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37 Irritating to eyes and respiratory system.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 39 Wear eye/face protection.
WGK (Water Danger/Protection)
CAS# 190774-56-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 190774-56-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 190774-56-2 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

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:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积53.7

7.重原子数量:12

8.表面电荷:0

9.复杂度:189

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