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Substance Name: 4-Nitrobenzoyl chloride
RN: 122-04-3
UNII: X3H8PW2GC4
InChIKey: SKDHHIUENRGTHK-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C7-H4-Cl-N-O3

Molecular Weight

  • 185.566
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzoyl chloride

Synonyms

  • 4-09-00-01191 (Beilstein Handbook Reference)
  • 4-Nitrobenzoic acid chloride
  • 4-Nitrobenzoyl chloride
  • AI3-08914
  • BRN 0473192
  • CCRIS 3136
  • EC 204-517-4
  • EINECS 204-517-4
  • NSC 5381
  • p-Nitrobenzoic acid chloride
  • p-Nitrobenzoyl chloride
  • UNII-X3H8PW2GC4

Systematic Names

  • 4-Nitrobenzoyl chloride
  • Benzoyl chloride, 4-nitro-
  • Benzoyl chloride, p-nitro-
  • p-Nitrobenzoyl chloride

Registry Numbers

CAS Registry Number

  • 122-04-3

FDA UNII

  • X3H8PW2GC4

System Generated Number

  • 0000122043

Structure Descriptors

InChI

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

InChIKey

SKDHHIUENRGTHK-UHFFFAOYSA-N

Smiles

c1(C(=O)Cl)ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3440mg/kg (3440mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(9), Pg. 47, 1984.
rabbit LD50 oral 4750mg/kg (4750mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(9), Pg. 47, 1984.
rat LD50 oral 5600mg/kg (5600mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(9), Pg. 47, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 75 deg C   EXP
log P (octanol-water) 1.250 (none)   EST
Atmospheric OH Rate Constant 1.55E-13 cm3/molecule-sec 25 EST

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