ChemicalBook--->CAS DataBase List--->40465-45-0

40465-45-0

40465-45-0 Structure

40465-45-0 Structure
IdentificationMore
[Name]

4-Cyanophenyl isocyanate
[CAS]

40465-45-0
[Synonyms]

4-CYANOPHENYL ISOCYANATE
4-ISOCYANATOBENZONITRILE
P-CYANOPHENYL ISOCYANATE
4-isocyanato-benzonitril
4-Cyanophenyl
4-CYANOPHENYL ISOCYANATE 95%
Benzonitrile, 4-isocyanato-
[EINECS(EC#)]

254-934-0
[Molecular Formula]

C8H4N2O
[MDL Number]

MFCD00037038
[Molecular Weight]

144.13
[MOL File]

40465-45-0.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to beige crystalline needles or solid
[Melting point ]

101-104 °C (lit.)
[Boiling point ]

262.72°C (rough estimate)
[density ]

1.2851 (rough estimate)
[refractive index ]

1.4900 (estimate)
[storage temp. ]

2-8°C
[form ]

Crystalline Needles or Solid
[color ]

Off-white to beige
[Water Solubility ]

insoluble (dec)
[Detection Methods]

HPLC
[InChI]

1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
[InChIKey]

TVSXDZNUTPLDKY-UHFFFAOYSA-N
[SMILES]

O=C=Nc1ccc(cc1)C#N
[CAS DataBase Reference]

40465-45-0(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen;Moisture sensitive
[EPA Substance Registry System]

40465-45-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

6.1
[HS Code ]

2929100090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Triethylamine-->Benzene-->Triphosgene-->4-Aminobenzonitrile-->benzyl 4-cyanophenylcarbaMate-->TERT-BUTYL 4-CYANOPHENYLCARBAMATE-->4-ACETAMIDOBENZONITRILE-->4'-Bromoacetanilide-->2,5-Dihydrofuran-->carbon monoxide-->4-Nitrobenzonitrile-->PHOSGENE
[Preparation Products]

Imidazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Isocyanatobenzonitrile(40465-45-0).msds
Hazard InformationBack Directory
[Chemical Properties]

off-white to beige crystalline needles or solid
[Uses]

4-Cyanophenyl isocyanate, also known as 4-isocyanatobenzonitrile, is an aryl isocyanate. It alters the surface of silk sericin in lithium chloride/dimethyl sulfoxide solvent by forming urethane linkages.
[General Description]

4-Cyanophenyl isocyanate, also known as 4-isocyanatobenzonitrile, is an aryl isocyanate. It alters the surface of silk sericin in lithium chloride/dimethyl sulfoxide solvent by forming urethane linkages.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Cyanophenyl isocyanate, 95%(40465-45-0)
[Sigma Aldrich]

40465-45-0(sigmaaldrich)
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