Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Chloro-4-nitrobenzene
RN: 100-00-5
UNII: CVL66U249D
InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-Cl-N-O2

Molecular Weight

  • 157.556
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • TWA (0.1 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans; BEI
  • TWA 1 mg/m3; skin

Names and Synonyms

Name of Substance

  • 1-Chloro-4-nitrobenzene
  • 4-Chloronitrobenzene

Synonyms

  • 1-Chloor-4-nitrobenzeen
  • 1-Chloor-4-nitrobenzeen [Dutch]
  • 1-Chlor-4-nitrobenzol
  • 1-Chlor-4-nitrobenzol [German]
  • 1-Chloro-4-nitrobenzene
  • 1-Cloro-4-nitrobenzene
  • 1-Cloro-4-nitrobenzene [Italian]
  • 1-Nitro-4-chlorobenzene
  • 4-Chloro-1-nitrobenzene
  • 4-Chloronitrobenzene
  • 4-Nitro-1-chlorobenzene
  • 4-Nitrochlorobenzene
  • AI3-15387
  • Benzene, 1-chloro-4-nitro-
  • CCRIS 142
  • EC 202-809-6
  • EINECS 202-809-6
  • HSDB 1666
  • NSC 9792
  • p-Chloronitrobenzene
  • p-Nitrochloorbenzeen
  • p-Nitrochloorbenzeen [Dutch]
  • p-Nitrochlorobenzene
  • p-Nitrochlorobenzol
  • p-Nitrochlorobenzol [German]
  • p-Nitroclorobenzene
  • p-Nitroclorobenzene [Italian]
  • p-Nitrophenyl chloride
  • PNCB
  • UNII-CVL66U249D

Systematic Names

  • 1-Chloro-4-nitrobenzene
  • Benzene, 1-chloro-4-nitro-
  • p-Chloronitrobenzene

Superlist Names

  • 1-Chloro-4-nitrobenzene
  • 4-Chloronitrobenzene
  • Benzene, 1-chloro-4-nitro-
  • Chloronitrobenzene, para, solid
  • Chloronitrobenzene, para, solid [UN1578] [Poison]
  • p-Nitrochlorobenzene
  • UN1578

Registry Numbers

CAS Registry Number

  • 100-00-5

FDA UNII

  • CVL66U249D

System Generated Number

  • 0000100005

Structure Descriptors

InChI

1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

InChIKey

CZGCEKJOLUNIFY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 25ppm/7H (25ppm)   Industrial Medicine and Surgery. Vol. 19, Pg. 317, 1950.
mouse LD50 oral 440mg/kg (440mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 92, 1982.
rabbit LD50 skin 3040mg/kg (3040mg/kg)   National Toxicology Program Technical Report Series. Vol. NIH-93-3382,
rat LCLo inhalation 16100mg/m3/4H (16100mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
National Technical Information Service. Vol. OTS0571644,
rat LD50 intraperitoneal 420mg/kg (420mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat LD50 oral 420mg/kg (420mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: FATTY LIVER DEGERATION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat LD50 skin 16gm/kg (16000mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83.5 deg C   EXP
Boiling Point 242 deg C   EXP
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 225 mg/L 20 EXP
Henry's Law Constant 4.89E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.71E-13 cm3/molecule-sec 25 EST

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