2-CYANOPHENYL ISOCYANATE

Modify Date: 2024-01-14 16:45:57

2-CYANOPHENYL ISOCYANATE Structure
2-CYANOPHENYL ISOCYANATE structure
Common Name 2-CYANOPHENYL ISOCYANATE
CAS Number 42066-86-4 Molecular Weight 144.13000
Density 1.09 g/cm3 Boiling Point 266.2ºC at 760 mmHg
Molecular Formula C8H4N2O Melting Point 61ºC
MSDS N/A Flash Point 114.8ºC

 Names

Name 2-isocyanatobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.09 g/cm3
Boiling Point 266.2ºC at 760 mmHg
Melting Point 61ºC
Molecular Formula C8H4N2O
Molecular Weight 144.13000
Flash Point 114.8ºC
Exact Mass 144.03200
PSA 53.22000
LogP 1.52558
Index of Refraction 1.562

 MSDS

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

 Safety Information

Hazard Codes Xi: Irritant;Xn: Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2929109000

 Synthetic Route

~30%

2-CYANOPHENYL ISOCYANATE Structure

2-CYANOPHENYL I...

CAS#:42066-86-4

Literature: Francis, John E.; Cash, William D.; Barbaz, Beverly S.; Bernard, Patrick S.; Lovell, Richard A.; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 1 p. 281 - 290

~52%

2-CYANOPHENYL ISOCYANATE Structure

2-CYANOPHENYL I...

CAS#:42066-86-4

Literature: Vasil'eva, I. V.; Teleshov, E. N.; Pravednikov, A. N. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1985 , vol. 34, # 6 p. 1319 - 1322 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1985 , # 6 p. 1440 - 1445

~%

2-CYANOPHENYL ISOCYANATE Structure

2-CYANOPHENYL I...

CAS#:42066-86-4

Literature: Pavia; Lobbestael; Taylor; Hershenson; Miskell Journal of Medicinal Chemistry, 1990 , vol. 33, # 2 p. 854 - 861

~%

2-CYANOPHENYL ISOCYANATE Structure

2-CYANOPHENYL I...

CAS#:42066-86-4

Literature: Borsche; Sander Chemische Berichte, 1914 , vol. 47, p. 2825

~%

2-CYANOPHENYL ISOCYANATE Structure

2-CYANOPHENYL I...

CAS#:42066-86-4

Literature: Borsche; Sander Chemische Berichte, 1914 , vol. 47, p. 2825

 Customs

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

 Synonyms

Benzonitrile,2-isocyanato
2-Isocyanato-benzonitril
2-Isocyanato-benzonitrile
2-isocyanatobenzenecarbonitrile
2-CYANOPHENYL ISOCYANATE
1-cyano-2-isocyanatobenzene
2-Cyan-phenylisocyanat