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Substance Name: Benzoyl chloride, 3-nitro-
RN: 121-90-4
InChIKey: NXTNASSYJUXJDV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H4-Cl-N-O3

Molecular Weight

  • 185.566
 
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Names and Synonyms

Synonyms

  • 3-Nitrobenzoyl chloride
  • 4-09-00-01061 (Beilstein Handbook Reference)
  • AI3-14869
  • BRN 0777186
  • CCRIS 1186
  • Chlorid kyseliny m-nitrobenzoove
  • Chlorid kyseliny m-nitrobenzoove [Czech]
  • EINECS 204-505-9
  • m-Nitrobenzoyl chloride
  • NSC 5380

Systematic Names

  • 3-Nitrobenzoyl chloride
  • Benzoyl chloride, 3-nitro-
  • Benzoyl chloride, m-nitro-
  • m-Nitrobenzoyl chloride

Registry Numbers

CAS Registry Number

  • 121-90-4

System Generated Number

  • 0000121904

Structure Descriptors

InChI

1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H

InChIKey

NXTNASSYJUXJDV-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])C(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 790uL/kg (0.79mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 2460uL/kg (2.46mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36 deg C   EXP
Boiling Point 276.5 deg C   EXP
log P (octanol-water) 1.250 (none)   EST
Atmospheric OH Rate Constant 2.22E-13 cm3/molecule-sec 25 EST

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