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Substance Name: Benzene, 1-chloro-2-isocyanato-
RN: 3320-83-0
InChIKey: NOHQUGRVHSJYMR-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-N-O

Molecular Weight

  • 153.568
 
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Names and Synonyms

Synonyms

  • 2-Chlorophenyl isocyanate
  • EC 222-023-7
  • EINECS 222-023-7
  • NSC 8761
  • o-Chlorophenyl isocyanate

Systematic Names

  • 2-Chlorophenyl isocyanate
  • Benzene, 1-chloro-2-isocyanato-
  • Isocyanic acid, o-chlorophenyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 3320-83-0

System Generated Number

  • 0003320830

Structure Descriptors

InChI

1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

InChIKey

NOHQUGRVHSJYMR-UHFFFAOYSA-N

Smiles

O=C=Nc1c(cccc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30.5 deg C   EXP
Boiling Point 200 deg C   EXP
log P (octanol-water) 3.240 (none)   EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.