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3-Cyanophenyl isocyanate

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3-Cyanophenyl isocyanate Basic information
Product Name:3-Cyanophenyl isocyanate
Synonyms:3-Cyanophenyl isocyanate,97%;3-CYANOPHENYL ISOCYANATE;3-ISOCYANATO BENZONITRILE;M-CYANOPHENYL ISOCYANATE;3-Cyanophenyl;3-Cyanophenylisocyanate 97%;3-Cyanophenyl isocyanate, 97% 5GR;Benzonitrile, 3-isocyanato-
CAS:16413-26-6
MF:C8H4N2O
MW:144.13
EINECS:
Product Categories:Isocyanates;Phenyls & Phenyl-Het;Phenyl isocyanate&Phenyl isothiocyanate;Phenyls & Phenyl-Het;Nitrogen Compounds;Organic Building Blocks
Mol File:16413-26-6.mol
3-Cyanophenyl isocyanate Structure
3-Cyanophenyl isocyanate Chemical Properties
Melting point 51-54 °C(lit.)
Boiling point 262.72°C (rough estimate)
density 1.2851 (rough estimate)
refractive index 1.4900 (estimate)
form Low Melting Solid
color Off-white to slightly yellow
Sensitive Moisture Sensitive
BRN 3089117
InChI1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKeyNZHPVPMRNASEQK-UHFFFAOYSA-N
SMILESO=C=Nc1cccc(c1)C#N
CAS DataBase Reference16413-26-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 7-26-27-37/39-36/37/39
RIDADR 2206
WGK Germany 3
Hazard Note Irritant
HazardClass 6.1
PackingGroup II
HS Code 29291000
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute 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
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
3-Cyanophenyl isocyanate Usage And Synthesis
Chemical PropertiesOff-white to slightly yellow low melting solid
Uses3-Cyanophenyl isocyanate serves as a starting reagent in the synthesis of R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran and 1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea.
3-Cyanophenyl isocyanate Preparation Products And Raw materials
Raw materialsToluene-->Triethylamine-->Diphenylphosphoryl azide-->3-Cyanobenzoic acid
Preparation ProductsUrea, N-(3-cyanophenyl)--->tert-Butyl 4-[3-(3-cyanophenyl)ureido]piperidine-1-carboxylate
Tag:3-Cyanophenyl isocyanate(16413-26-6) Related Product Information
METHYLIDYNETRI-P-PHENYLENE TRIISOCYANATE 1,3-Bis(isocyanatomethyl)benzene Phenyl isothiocyanate Propyl isocyanate Phenyl butyrate Benzoyl isocyanate Phenyl acetate 2-Fluoro-5-methylphenyl isocyanate Isobutyl isocyanate 2-Fluoro-3-(trifluoromethyl)phenyl isocyanate 2-Phenoxyphenyl isocyanate 4-Bromo-2-chlorophenyl isocyanate 2-Iodophenyl isocyanate 3,4-Dichlorobenzyl isocyanate 4-Fluoro-3-(trifluoromethyl)phenyl isocyanate 3-Chloro-4-fluorophenyl isocyanate 4-Bromo-2-fluorophenyl isocyanate 2-Ethylhexyl isocyanate 98