3955-58-6 (苯基乙基硫脲,1-ethyl-1-phenyl-thiourea)

CAS号:
3955-58-6
中文名称:
苯基乙基硫脲
英文名称:
1-ethyl-1-phenyl-thiourea
分子式:
C9H12N2S
分子量:
180.269980430603

苯基乙基硫脲(3955-58-6)名称与标识符

名称

中文别名:
1-乙基-1-苯基硫脲;1-乙基-3-苯基-2-硫脲;N-苯基-N’-乙基硫脲;N-苯基-N'-乙基硫脲;苯基乙基硫脲;苯基乙基硫脲(ABTS中间体);
英文别名:
Thiourea,N-ethyl-N-phenyl-;1-ETHYL-3-PHENYL-2-THIOUREA;N-ethyl-N-phenylThiourea;1-Ethyl-1-phenyl-thioharnstoff;1-ethyl-1-phenyl-thiourea;EPTU;ETHYLPHENYLTHIOUREA;N-Aethyl-N-phenyl-thioharnstoff;N-Ethyl-N'-phenyl-thioure;N-ETHYL-N'-PHENYLTHIOUREA;PHENYLETHYLTHIOUREA;1-Ethyl-3-phenylthiourea;phenyl ethyl thiourea;AKOS000138107;HMS2278D15;FT-0686792;AE-484/30082040;amino(ethylphenylamino)methane-1-thione;XVNPNGPNQJUMSL-UHFFFAOYSA-N;Thiourea, N-ethyl-N-phenyl-;2-Thiourea, 1-ethyl-1-phenyl-;1-ethyl-1-phenylthiourea;SMR000162732;Thiourea, ethylphenyl-;MLS000545664;CHEMBL1305862;NCGC00247078-01;MS-10627;3955-58-6;DTXSID9063243;SCHEMBL145553;MFCD01925205;

标识符

InChIKey:
XVNPNGPNQJUMSL-UHFFFAOYSA-N
Inchi:
1S/C9H12N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)
SMILES:
S=C(N)N(C1C=CC=CC=1)CC

苯基乙基硫脲(3955-58-6)物化性质

实验特性

  • LogP : 2.45680
  • PSA : 56.15000
  • 折射率 : 1.5300 (estimate)
  • 沸点 : 283.2 °C at 760 mmHg
  • 熔点 : 133-137 °C
  • 闪点 : 125.1 °C
  • 颜色与性状 : 白色粉末
  • 溶解性 : 未确定
  • 密度 : 1.1015 (rough estimate)

计算特性

  • 精确分子量 : 180.07200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 180.072119
  • 重原子数量 : 12
  • 复杂度 : 153
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.7
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 56.2

苯基乙基硫脲(3955-58-6)安全信息

苯基乙基硫脲(3955-58-6)海关数据

海关编码:
2930909090
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

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(3955-58-6)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单

苯基乙基硫脲(3955-58-6) MSDS

基础信息

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 NamecontentEINECS#
3955-58-6Phenylethylthiourea, 98%98unlisted
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