42066-86-4 (2-异氰基苯甲氰,2-Cyanophenyl Isocyanate)

CAS号:
42066-86-4
中文名称:
2-异氰基苯甲氰
英文名称:
2-Cyanophenyl Isocyanate
分子式:
C8H4N2O
分子量:
144.1301612854

2-异氰基苯甲氰(42066-86-4)名称与标识符

名称

中文别名:
2-异氰基苯甲腈;2-异氰基苯甲氰;2-氰基苯基异氰酸酯;
英文别名:
Benzonitrile,2-isocyanato-;2-CYANOPHENYL ISOCYANATE;2-Isocyanatobenzonitrile;1-cyano-2-isocyanatobenzene;2-Cyan-phenylisocyanat;2-isocyanatobenzenecarbonitrile;2-Isocyanato-benzonitril;2-Isocyanato-benzonitrile;Benzonitrile,2-isocyanato;o-Cyanophenyl isocyanate;BS-28003;FT-0612695;AKOS000122289;42066-86-4;FQLNVWAFXQUXGW-UHFFFAOYSA-N;DTXSID60370993;SCHEMBL136118;MFCD00829130;AM20040444;A825747;J-509743;Benzonitrile, 2-isocyanato-;EN300-01257;2-Isocyanatobenzenecarbonitrile;;DB-006099;2-CYANOPHENylisoCYANATE;

标识符

MDL:
MFCD00829130
InChIKey:
FQLNVWAFXQUXGW-UHFFFAOYSA-N
Inchi:
1S/C8H4N2O/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H
SMILES:
O=C=NC1C=CC=CC=1C#N

2-异氰基苯甲氰(42066-86-4)物化性质

实验特性

  • LogP : 1.52558
  • PSA : 53.22000
  • 沸点 : 124-125 ºC (13 Torr)
  • 熔点 : 61-62 ºC
  • 闪点 : 114.8±22.6 ºC,
  • 溶解度 : Very 微溶 (0.49 g/L) (25 ºC),
  • 密度 : 1.09±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 144.03200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 144.032362755g/mol
  • 重原子数量 : 11
  • 复杂度 : 222
  • 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
  • 拓扑分子极性表面积 : 53.2Ų

2-异氰基苯甲氰(42066-86-4)安全信息

2-异氰基苯甲氰(42066-86-4)海关数据

海关编码:
2929109000
海关数据:

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

Summary:

2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-异氰基苯甲氰(42066-86-4)推荐厂家 更多厂家(12)

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2-异氰基苯甲氰(42066-86-4)相关文献

2-异氰基苯甲氰(42066-86-4) MSDS

基础信息

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 NamecontentEINECS#
42066-86-42-Isocyanatobenzonitrile97%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