Cas no 51134-03-3 (Benzene,chloroisocyanato-)

Benzene,chloroisocyanato- structure
Benzene,chloroisocyanato- structure
Product Name:Benzene,chloroisocyanato-
CAS No:51134-03-3
MF:C7H4ClNO
MW:153.565760612488
CID:367535
PubChem ID:76833
Update Time:2025-04-19

Benzene,chloroisocyanato- Chemical and Physical Properties

Names and Identifiers

    • Benzene,chloroisocyanato-
    • Chloroisocyanatobenzene
    • A5924
    • Benzene, 1-chloro-2-isocyanato-
    • EINECS 222-023-7
    • Benzene, chloroisocyanato-
    • Isocyanic acid, o-chlorophenyl ester
    • 2-chloro phenyl isocyanate
    • EINECS 257-001-6
    • FT-0634775
    • 2-Chlorophenylisocyanate
    • 1-Chloro-2-isocyanato-benzene
    • I0120
    • 1-Chloro-2-isocyanatobenzene
    • 1-chloro-2-isocyanato benzene
    • DTXSID5062974
    • NS00005740
    • 2-chloro phenylisocyanate
    • 2-chloro-phenyl isocyanate
    • 2-chloro-1-isocyanatobenzene
    • NSC8761
    • Isocyanic Acid 2-Chlorophenyl Ester
    • 2-Chlorophenyl isocyanate
    • chlorophenylisocyanate
    • o-chlorophenylisocyanate
    • AKOS000120741
    • 51134-03-3
    • 2-Chlorophenyl isocyanate, 98%
    • W-106783
    • NSC-8761
    • C13353
    • InChI=1/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
    • o-Chlorophenyl isocyanate
    • SCHEMBL93270
    • PS-10307
    • NOHQUGRVHSJYMR-UHFFFAOYSA-
    • 1-Chloro-2-isocyanatobenzene #
    • MFCD00001999
    • 2-chiorophenyl isocyanate
    • EN300-20935
    • F1945-0011
    • NSC 8761
    • 3320-83-0
    • 2-chloro-1-isocyanato benzene
    • 2-chloro-1-isocyanato-benzene
    • EC 222-023-7
    • Inchi： 1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
    • InChI Key： NOHQUGRVHSJYMR-UHFFFAOYSA-N
    • SMILES： ClC1C=CC=CC=1N=C=O

Computed Properties

  • Exact Mass: 152.99822
  • Monoisotopic Mass: 152.998
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 405
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.7
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Color/Form: Colorless and transparent liquid
  • Density: 1.273
  • Melting Point: 2-4℃
  • Boiling Point: 83-84℃ (10 mmHg)
  • Flash Point: 88℃
  • Refractive Index: 1.5565-1.5585
  • PSA: 29.43
  • LogP: 2.30730

Benzene,chloroisocyanato- Security Information

  • Storage Condition：Keep away from high temperature, sparks, flames and fire sources. Keep container closed when not in use. Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.

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