1-(chloromethyl)-2-isocyanatobenzene

Names

[ Name ]:
1-(chloromethyl)-2-isocyanatobenzene

[Synonym ]:
2-(3-METHOXY-PHENYL)-BENZOOXAZOL-5-YLAMINE
o-chloromethylphenyl isocyanate
MFCD00077427
(2-chloromethyl)phenyl isocyanate
1-chloromethyl-2-isocyanato-benzene

Chemical & Physical Properties

[ Density]:
1.241

[ Boiling Point ]:
45ºC (0.2 torr)

[ Molecular Formula ]:
C₈H₆ClNO

[ Molecular Weight ]:
167.59200

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
167.01400

[ PSA ]:
29.43000

[ LogP ]:
2.39270

[ Index of Refraction ]:
n20/D 1.567(lit.)

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H312-H314-H332

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C

[ Risk Phrases ]:
R23;R34;R42/43

[ Safety Phrases ]:
S23-S26-S36/37/39-S45

[ RIDADR ]:
UN 2206 6.1/PG 3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2929109000

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

Articles

Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds.

J. Org. Chem. 71(26) , 9743-50, (2006)

The reaction of omega-chloroalkyl isocyanates Cl(CH2)nNCO (n = 2 (2), 3 (4)) and isothiocyanate Cl(CH2)2NCS (3) with active methylene compounds CH2YY' 1 in the presence of Et3N or Na give 2-YY'-methyl...