苯基乙基硫脲

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学

苯基乙基硫脲 基本信息

中文名称:
苯基乙基硫脲 
中文别名:
N-苯基-N’-乙基硫脲;
苯基乙基硫脲;
N-苯基-N'-乙基硫脲;
1-乙基-3-苯基-2-硫脲;
苯基乙基硫脲(ABTS中间体) 
英文名称:
Thiourea,N-ethyl-N-phenyl-
英文别名:
1-ETHYL-3-PHENYL-2-THIOUREA;
PHENYLETHYLTHIOUREA;
N-Ethyl-N'-phenyl-thioure;
N-Aethyl-N-phenyl-thioharnstoff;
1-Ethyl-1-phenyl-thioharnstoff;
N-ETHYL-N'-PHENYLTHIOUREA;
1-ethyl-1-phenyl-thiourea;
EPTU;
ETHYLPHENYLTHIOUREA 
CAS No.:
3955-58-6
分 子 式:
C9H12N2S
分 子 量:
180.27
精确分子量:
180.07200
PSA:
56.15000
InChI:
The Key: XVNPNGPNQJUMSL-UHFFFAOYSA-N
危险品标志:
Xi
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
查看

苯基乙基硫脲 物化性质

外观与性状:
白色固体
密度:
1.181g/cm3
熔点:
133-137ºC
沸点:
283.2ºC at 760 mmHg
闪点:
125.1ºC
折射率:
1.655
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

与强氧化剂反应。

其它信息:

1.      性状:白色粉末

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):133-137

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,10mmHg):未确定

7.      折射率(n20/D):未确定

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(mPa,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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:未确定

苯基乙基硫脲 安全信息

海关代码:
2930909090
危险类别码:
R36/37/38
安全说明:
37/39-26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi: Irritant;

苯基乙基硫脲 MSDS

Name: Phenylethylthiourea 98% Material Safety Data Sheet
Synonym:
CAS: 3955-58-6
Section 1 - Chemical Product   MSDS Name:Phenylethylthiourea 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3955-58-6 Phenylethylthiourea, 98% 98 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause 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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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.
Extinguishing Media:
Use water spray, dry chemical, or carbon dioxide.

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. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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.
Exposure Limits CAS# 3955-58-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 134 - 136 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: C9H12N2S
Molecular Weight: 180.26

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3955-58-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Phenylethylthiourea, 98% - 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
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: XI
Risk Phrases:
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# 3955-58-6: No information available.
Canada
CAS# 3955-58-6 is listed on Canada's NDSL List.
CAS# 3955-58-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3955-58-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

苯基乙基硫脲 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%

苯基乙基硫脲 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):1.7

2.氢键供体数量:1

3.氢键受体数量:1

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61.4

7.重原子数量:12

8.表面电荷:0

9.复杂度:153

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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