4947-89-1 (3-氯苯硫脲,1-(3-Chlorophenyl)thiourea)

CAS号:
4947-89-1
中文名称:
3-氯苯硫脲
英文名称:
1-(3-Chlorophenyl)thiourea
安全信息:
分子式:
C7H7ClN2S
分子量:
186.661878824234

3-氯苯硫脲(4947-89-1)名称与标识符

名称

中文别名:
3-氯苯硫脲;3-氯苯(基)硫脲;对氯苯基硫脲;(3-氯苯基)硫脲;1-(3-氯苯基)-2-硫脲;3-氯苯基硫脲;
英文别名:
3-Chlorophenylthiourea;1-(3-CHLOROPHENYL)-2-THIOUREA;(3-Chlorophenyl)thiourea;(3-Chloro-phenyl)-thiourea;1-(3-Chlorophenyl)thiourea;N-(3-chlorophenyl)thiourea;(m-Chlorophenyl)thiourea;1-(m-Chlorophenyl)thiourea;NSC 164965;m-Chlorophenylthiourea;3-Chlorophenyl thiourea;Thiourea, (3-chlorophenyl)-;3-(Chlorophenyl)thiourea;Urea, 1-(m-chlorophenyl)-2-thio-;Thiourea, (3-chlorophenyl)- (9CI);1-(3-chlorophenyl) thiourea;MLS000756342;amino[(3-chlorophenyl)amino]methane-1-thione;NSC164965;WLN: SUYZMR CG;BS-4014;LSYZRUOXXOTVAV-UHFFFAOYSA-N;NCGC00246756-01;UNII-37YY52HH2D;C3168;BRN 2090370;MFCD00022165;4-12-00-01155 (Beilstein Handbook Reference);Z199466968;NSC-164965;EN300-28844;SMR000528688;SCHEMBL10783714;AKOS000269516;THIOUREA, N-(3-CHLOROPHENYL)-;D89545;37YY52HH2D;SCHEMBL653292;DTXSID10197798;4947-89-1;CS-0116703;CHEMBL1366333;FT-0615514;A827726;BBL027871;STL374097;DB-018499;

标识符

MDL:
MFCD00022165
InChIKey:
LSYZRUOXXOTVAV-UHFFFAOYSA-N
Inchi:
1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
SMILES:
ClC1=CC=CC(=C1)NC(N)=S
BRN:
2090370

3-氯苯硫脲(4947-89-1)物化性质

实验特性

  • LogP : 2.76880
  • PSA : 70.14000
  • 折射率 : 1.727
  • 沸点 : 296.7°C at 760 mmHg
  • 熔点 : 137.0 to 141.0 deg-C
  • 闪点 : 133.2°C
  • 颜色与性状 : 不确定
  • 溶解性 : 不确定
  • 密度 : 1.441

计算特性

  • 精确分子量 : 186.00200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 186.002
  • 重原子数量 : 11
  • 复杂度 : 151
  • 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) : 2.4
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 70.1

3-氯苯硫脲(4947-89-1)安全信息

3-氯苯硫脲(4947-89-1)国际标准相关数据

EINECS:
164965

3-氯苯硫脲(4947-89-1)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%

3-氯苯硫脲(4947-89-1)推荐厂家 更多厂家(25)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
山东玖玥生物科技有限公司 15553333686张文杰 643971
询单
上海甄准生物科技有限公司 13918293035
021-68920155
陈经理13918293035 3001005926
询单
上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
询单
上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单
上海绩祥生物科技有限公司 13093077543陆经理 3985448220
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单

3-氯苯硫脲(4947-89-1)参考资料

Reaxys RN:
2090370
Beilstein:
C153742
PubChem CID:

3-氯苯硫脲(4947-89-1) MSDS

基础信息

Name:1-(3-Chlorophenyl)-2-thiourea Material Safety Data Sheet
Synonym:
CAS:4947-89-1
Section 1 - Chemical Product ? MSDS Name:1-(3-Chlorophenyl)-2-thiourea Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
4947-89-11-(3-Chlorophenyl)-2-thioureaunlisted
Hazard Symbols: T+
Risk Phrases: 28 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Very toxic 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:
May be fatal if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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, 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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Poison room locked.

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# 4947-89-1: 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: Solid
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 - 138 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C7H7ClN2S
Molecular Weight: 186.67

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 4947-89-1: YS7000000 LD50/LC50:
CAS# 4947-89-1: Oral, rat: LD50 = 25 mg/kg.
Carcinogenicity:
1-(3-Chlorophenyl)-2-thiourea - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 28 Very toxic if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 4947-89-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4947-89-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4947-89-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A