2-异氰基苯甲腈

2-异氰基苯甲腈 基本信息
CAS号 42066-86-4 分子式 C8H4N2O
分子量 144.13000 精确质量  144.03200
PSA  53.22000 LogP  1.52558

基本信息 展开↓

CAS号:
42066-86-4
3D弹球模型:
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分子式:
C8H4N2O
分子量:
144.13000
中文名称:
2-异氰基苯甲腈
英文名称:
2-isocyanatobenzonitrile
中文别名:
2-异氰基苯甲腈;
2-异氰基苯甲氰
英文别名:
2-isocyanatobenzonitrile;
Benzonitrile,2-isocyanato;
2-Isocyanato-benzonitril;
2-Isocyanato-benzonitrile;
2-isocyanatobenzenecarbonitrile;
2-CYANOPHENYL ISOCYANATE;
1-cyano-2-isocyanatobenzene;
2-Cyan-phenylisocyanat
精确分子量/精确质量:
144.03200
极性分子表面积/PSA:
53.22000
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:
InChI=1/C8H4N2O/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H

物化性质展开↓

密度:
1.09 g/cm3
熔点:
61ºC
沸点:
266.2ºC at 760 mmHg
闪点:
114.8ºC
折射率:
1.562

安全信息展开↓

海关代码:
2929109000
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36/37/39
危险标志:
Xi: Irritant;Xn: Harmful;

合成路线查看所有的合成路线

  • 607-28-3

    靛红-3-肟

  • ~52%

  • 42066-86-4

    2-异氰基苯甲腈

  • 6944-57-6

    Benzenesulfonyl fluoride,o-amino

  • +

  • 503-38-8

    氯甲酸三氯甲酯

  • ~30%

  • 42066-86-4

    2-异氰基苯甲腈

  • 607-28-3

    靛红-3-肟

  • +

  • 60-29-7

    乙醚

  • +

  • 10026-13-8

    五氯化磷

  • 42066-86-4

    2-异氰基苯甲腈

MSDS 展开↓

Name: 2-Isocyanatobenzonitrile 97% Material Safety Data Sheet
Synonym: 2-Cyanophenyl isocyanate
CAS: 42066-86-4
Section 1 - Chemical Product   MSDS Name:2-Isocyanatobenzonitrile 97% Material Safety Data Sheet
Synonym:2-Cyanophenyl isocyanate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
42066-86-4 2-Isocyanatobenzonitrile 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. At high concentrations, isocyanates affect mucous membranes of the respiratory tract and may lead to fatal pulmonary edema.
Chronic:
May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Chronic overexposure to isocyanates has been reported to cause lung damage, including decreased lung fuction, which may be permanent.

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.
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:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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:
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:
Use foam, 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Store under nitrogen.

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# 42066-86-4: Personal Protective Equipment Eyes: 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 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 59 - 60 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: C8H4N2O
Molecular Weight: 144

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 42066-86-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Isocyanatobenzonitrile - 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, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, SOLID, 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.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 42066-86-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 42066-86-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 42066-86-4 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:2929109000

概述:
2929109000. 其他异氰酸酯. 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:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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