439991

3-Cyanophenyl isocyanate

97%

• Linear Formula: NCC₆H₄NCO
• CAS Number: 16413-26-6
• Molecular Weight: 144.13
• MDL number: MFCD00013856
• UNSPSC Code: 12352100
• PubChem Substance ID: 24867556
• NACRES: NA.22

Properties

• Assay: 97%
• form: solid
• mp: 51-54 °C (lit.)
• SMILES string: O=C=Nc1cccc(c1)C#N
• InChI: 1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
• InChI key: NZHPVPMRNASEQK-UHFFFAOYSA-N

Description

General description

3-Cyanophenyl isocyanate is an aromatic isocyanate.

Application

3-Cyanophenyl isocyanate may be employed as starting reagent for the following syntheses:

• R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
• 1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• 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
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves