1-(chloromethyl)-2-isocyanatobenzene

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Names

[ CAS No. ]:
52986-66-0

[ 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

  • 1-Isocyanato-2-methylbenzene

DownStream

  • 6H-Dibenz[b,e]azepin-6-one,5,11-dihydro-

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...


More Articles

Related Compounds

  • 1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene
  • 1-chloromethyl-2,3,4-trimethyl-naphthalene
  • 1-(chloromethyl)-2,3,4,5-tetramethoxybenzene
  • 1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene
  • 1-(chloromethyl)-2,5-dimethoxy-4-methylbenzene
  • 1-(chloromethyl)-2-methylsulfonylbenzene
  • 2-[[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]methyl]-2-(hydroxymethyl)-1,3-propanediol
  • 3-(2-Bromo-4-nitrophenyl)propane-1-thiol
  • (-)-2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofurancarboxylic acid
  • 2-(3,3-Difluorocyclobutyl)piperidine
  • 4-Fluoro-2-methoxy-3,3,4-trimethylpentanoic acid
  • [(2S)-morpholin-2-yl]methanesulfonyl chloride
  • 6-(Thiophen-3-yl)hex-3-en-2-amine
  • 3-(3-Chlorothiophen-2-yl)propane-1-thiol
  • 6-Bromo-N-(3-chloro-4-methylphenyl)-8-ethyl-2-(2-thienyl)-4-quinolinecarboxamide
  • 2-Benzofurancarboxaldehyde, 2-(3-cyclohexyl-4-oxo-2-thiazolidinylidene)hydrazone
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