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Substance Name: Nitrofen [BSI:ISO]
RN: 1836-75-5
UNII: N71UYG034A
InChIKey: XITQUSLLOSKDTB-UHFFFAOYSA-N

Molecular Formula

  • C12-H7-Cl2-N-O3

Molecular Weight

  • 284.0973
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Herbicides
  • Mutation Data
  • Pesticides
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen

Names and Synonyms

Results Name

  • Nitrofen [BSI:ISO]

Name of Substance

  • Nitrofen
  • Nitrofen [BSI:ISO]

Synonyms

  • 2',4'-Dichloro-4-nitrobiphenyl ether
  • 2,4-Dechlorophenyl p-nitrophenyl ether
  • 2,4-Dichloro-1-(4-nitrophenoxy)benzene
  • 2,4-Dichloro-4'-nitrodiphenyl ether
  • 2,4-Dichloro-4'-nitrophenyl ether
  • 2,4-Dichlorophenyl 4-nitrophenyl ether
  • 2,4-Dichlorophenyl p-nitrophenyl ether
  • 2,4-Dichlorophenyl-p-nitro phenyl ether
  • 2,4-Dichlorphenyl-4-nitrophenylaether
  • 2,4-Dichlorphenyl-4-nitrophenylaether [German]
  • 4'-Nitro-2,4-dichlorodiphenyl ether
  • 4-(2,4-Dichlorophenoxy)nitrobenzene
  • 4-06-00-01288 (Beilstein Handbook Reference)
  • 4-Nitro-2',4'-dichlorophenyl ether
  • Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
  • BRN 1887356
  • Caswell No. 323D
  • CCRIS 444
  • EINECS 217-406-0
  • EPA Pesticide Chemical Code 038201
  • Ether, 2,4-dichlorophenyl p-nitrophenyl
  • FW 925
  • HSDB 1578
  • Mezotox
  • NCI-C00420
  • Niclofen
  • NIP
  • Nitrafen
  • Nitraphen
  • Nitrochlor
  • Nitrofen
  • Nitrofene
  • Nitrofene [French]
  • Nitrofene [ISO-French]
  • Nitrophen
  • Nitrophene
  • Preparation 125
  • TOK
  • TOK E
  • TOK E 40
  • TOK E-25
  • TOK WP-50
  • TOK-2
  • Tokkorn
  • Trizilin
  • Trizilin 25
  • UNII-N71UYG034A

Systematic Names

  • 2,4-Dichloro-1-(4-nitrophenoxy)benzene
  • Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
  • Ether, 2,4-dichlorophenyl p-nitrophenyl
  • Nitrofen

Superlist Names

  • Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
  • Nitrofen
  • Nitrofen (technical grade)
  • Nitrofen, technical-grade

Registry Numbers

CAS Registry Number

  • 1836-75-5

FDA UNII

  • N71UYG034A

Other Registry Number

  • 51274-07-8

System Generated Number

  • 0001836755

Structure Descriptors

InChI

1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H

InChIKey

XITQUSLLOSKDTB-UHFFFAOYSA-N

Smiles

c1cc(ccc1[N+](=O)[O-])Oc2ccc(cc2Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 620mg/m3/4H (620mg/m3) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967.
cat LDLo oral 300mg/kg (300mg/kg)   Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967.
mouse LD50 oral 450mg/kg (450mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: EXCITEMENT
Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967.
rabbit LD50 oral 1620mg/kg (1620mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 166, 1976.
rabbit LDLo skin 3270mg/kg (3270mg/kg)   Toxicology. Vol. 29, Pg. 1, 1983.
rat LD50 oral 740mg/kg (740mg/kg)   Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967.
rat LD50 oral 740mg/kg (740mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: EXCITEMENT
Hygiene and Sanitation Vol. 32(1), Pg. 20, 1967.
rat LD50 skin 5gm/kg (5000mg/kg)   Archives of Environmental Health. Vol. 28, Pg. 316, 1974.
rat LD50 unreported 3gm/kg (3000mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 109, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 70 deg C   EXP
log P (octanol-water) 4.64 (none)   EXP
Water Solubility 1 mg/L 22 EXP
Vapor Pressure 8.00E-06 mm Hg 40 EXP
Henry's Law Constant 2.55E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-12 cm3/molecule-sec 25 EST

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