2037-31-2 (3-氯苯硫酚,3-Chlorothiophenol)

CAS号:
2037-31-2
中文名称:
3-氯苯硫酚
英文名称:
3-Chlorothiophenol
安全信息:
分子式:
C6H5ClS
分子量:
144.621899366379

3-氯苯硫酚(2037-31-2)名称与标识符

名称

中文别名:
3-氯苯硫酚;间氯苯硫酚;3-Chlorobenzenethiol 3-氯苯硫酚;3-氯硫酚;
英文别名:
3-Chlorothiophenol;3-Chlorobenzenethiol;3-CHLOROBENZENE-1-THIOL;3-Chloromercaptobenzene;3-chlorophenylthiol;Benzenethiol,3-chloro;Benzenethiol,m-chloro;m-Chlorobenzenethiol;m-Chlorothiophenol;Benzenethiol, 3-chloro-;Benzenethiol, m-chloro-;3-Chloro thiophenol;3-Chloro-benzenethiol;m-chlorophenyl mercaptan;CQJDYPZUDYXHLM-UHFFFAOYSA-N;NSC32020;3-chloro-thiophenol;3-chloro-benzenethio;PubChem6785;KSC204E7J;Js;3-Chlorobenzenethiol, 97%;NSC-32020;B8D2M2DK8R;D78430;A934124;EINECS 218-010-0;EN300-64688;SCHEMBL48358;2037-31-2;NSC 32020;PS-5376;UNII-B8D2M2DK8R;CHEMBL332620;NS00026606;AKOS006223919;FT-0615458;J-512349;DTXSID7062116;MFCD00004839;DB-045187;DTXCID9036274;

标识符

MDL:
MFCD00004839
InChIKey:
CQJDYPZUDYXHLM-UHFFFAOYSA-N
Inchi:
1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H
SMILES:
ClC1=CC=CC(=C1)S
BRN:
1854087

3-氯苯硫酚(2037-31-2)物化性质

实验特性

  • LogP : 2.62870
  • PSA : 38.80000
  • 折射率 : n20/D 1.6021(lit.)
  • 沸点 : 88°C/14mmHg(lit.)
  • 闪点 : 华氏:194 °F
    摄氏:90 °C
  • 颜色与性状 : 液体
  • 溶解性 : 难溶解于水的
  • 敏感性 : Stench/Lachrymatory
  • 密度 : 1.245 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 143.98000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 143.980049
  • 重原子数量 : 8
  • 复杂度 : 74.9
  • 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) : 3.1
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 1

3-氯苯硫酚(2037-31-2)安全信息

3-氯苯硫酚(2037-31-2)国际标准相关数据

EINECS:
32020

3-氯苯硫酚(2037-31-2)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-氯苯硫酚(2037-31-2)相关文献

3-氯苯硫酚(2037-31-2)参考资料

Reaxys RN:
1854087
Beilstein:
6,326
PubChem CID:

3-氯苯硫酚(2037-31-2) MSDS

基础信息

Name:3-Chlorothiophenol 97% Material Safety Data Sheet
Synonym:3-Chlorobenzenethiol; Benzenthiol, 3-Chloro-; M-Chlorothiophenol
CAS:2037-31-2
Section 1 - Chemical Product ? MSDS Name:3-Chlorothiophenol 97% Material Safety Data Sheet
Synonym:3-Chlorobenzenethiol; Benzenthiol, 3-Chloro-; M-Chlorothiophenol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
2037-31-23-Chlorothiophenol97218-010-0
Hazard Symbols: T
Risk Phrases: 23/24/25 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Stench.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be fatal if absorbed through the skin.
Substance is readily absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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 adequate ventilation to keep airborne concentrations low. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 2037-31-2: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure. Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin. Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Clear liquid
Color: clear almost colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 110 deg C @ 30.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 90 deg C ( 194.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2450g/cm3
Molecular Formula: C6H5ClS
Molecular Weight: 144.62

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 2037-31-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Chlorothiophenol - 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 LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 2037-31-2: No information available.
Canada
CAS# 2037-31-2 is listed on Canada's NDSL List.
CAS# 2037-31-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2037-31-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A