2-[(氰基甲基)硫代]苯甲酸甲酯

2-[(氰基甲基)硫代]苯甲酸甲酯 基本信息
CAS号 57601-89-5 分子式 C10H9NO2S
分子量 207.24900 精确质量  207.03500
PSA  75.39000 LogP  2.08888

基本信息 展开↓

CAS号:
57601-89-5
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分子式:
C10H9NO2S
分子量:
207.24900
中文名称:
2-[(氰基甲基)硫代]苯甲酸甲酯
英文名称:
methyl 2-(cyanomethylsulfanyl)benzoate
中文别名:
2-[(氰基甲基)硫代]苯甲酸甲酯
英文别名:
methyl 2-(cyanomethylsulfanyl)benzoate;
2-(2-carbomethoxyphenylthio)acetonitrile;
Methyl 2-[(Cyanomethyl)thio]benzoate;
HMS554M15
精确分子量/精确质量:
207.03500
极性分子表面积/PSA:
75.39000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: IZZWSNNLFRAPRY-UHFFFAOYSA-N

物化性质展开↓

密度:
1.24g/cm3
熔点:
121ºC
沸点:
338.6ºC at 760 mmHg
闪点:
158.6ºC
折射率:
1.574

安全信息展开↓

海关代码:
2930909090
危险类别码:
R20/21/22
安全说明:
S36/37
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 590-17-0

    溴乙腈

  • +

  • 4892-02-8

    硫代水杨酸甲酯

  • ~80%

  • 57601-89-5

    2-[(氰基甲基)硫代]苯甲酸甲酯

  • 107-14-2

    氯乙腈

  • +

  • 4892-02-8

    硫代水杨酸甲酯

  • 57601-89-5

    2-[(氰基甲基)硫代]苯甲酸甲酯

  • 147-93-3

    硫代水杨酸

  • 57601-89-5

    2-[(氰基甲基)硫代]苯甲酸甲酯

MSDS 展开↓

Name: Methyl 2-[(cyanomethyl)thio]benzoate 97% Material Safety Data Sheet
Synonym:
CAS: 57601-89-5
Section 1 - Chemical Product   MSDS Name:Methyl 2-[(cyanomethyl)thio]benzoate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
57601-89-5 Methyl 2-[(cyanomethyl)thio]benzoate 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. 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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with 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:

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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 57601-89-5: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 121 - 123.5 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: C10H9NO2S
Molecular Weight: 207

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing 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# 57601-89-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-[(cyanomethyl)thio]benzoate - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 57601-89-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 57601-89-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 57601-89-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

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