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Substance Name: 4-Nitrophenol
RN: 100-02-7
UNII: Y92ZL45L4R
InChIKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O3

Molecular Weight

  • 139.1095
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 257
  • 2011 CERCLA Priority List, Rank: 248
  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • 4-Nitrophenol
  • p-Nitrophenol

Synonyms

  • 4-Hydroxynitrobenzene
  • 4-Nitrofenol
  • 4-Nitrofenol [Dutch]
  • 4-Nitrophenol
  • AI3-04856
  • Caswell No. 603
  • CCRIS 2316
  • EC 202-811-7
  • EINECS 202-811-7
  • EPA Pesticide Chemical Code 056301
  • HSDB 1157
  • NCI-C55992
  • Niphen
  • NSC 1317
  • p-Hydroxynitrobenzene
  • p-Nitrofenol
  • p-Nitrofenol [Czech]
  • p-Nitrophenol
  • Paranitrofenol
  • Paranitrofenol [Dutch]
  • Paranitrofenolo
  • Paranitrofenolo [Italian]
  • Paranitrophenol
  • Paranitrophenol [French,German]
  • Phenol, 4-nitro-
  • Phenol, p-nitro-
  • PNP
  • RCRA waste number U170
  • UNII-Y92ZL45L4R

Systematic Names

  • 4-Nitrophenol
  • p-Nitrophenol
  • Phenol, 4-nitro-
  • Phenol, p-nitro-

Superlist Names

  • 4-Nitrophenol
  • p-Nitrophenol
  • p-Nitrophenol [UN1663] [Poison]
  • Phenol, 4-nitro-
  • Phenol, p-nitro-
  • RCRA waste no. U170
  • UN1663

Registry Numbers

CAS Registry Number

  • 100-02-7

FDA UNII

  • Y92ZL45L4R

Other Registry Numbers

  • 856824-67-4
  • 856824-71-0

Related Registry Numbers

  • 22098-38-0 (mercury(2+) salt)
  • 57936-22-8 (tin(2+) salt)
  • 64047-79-6 (aluminum salt)
  • 64047-80-9 (iron(3+) salt)
  • 64047-81-0 (magnesium salt)
  • 64047-82-1 (tin(4+) salt)
  • 64047-83-2 (zinc salt)
  • 64070-86-6 (manganese(2+) salt)
  • 824-78-2 (hydrochloride salt)

System Generated Number

  • 0000100027

Structure Descriptors

InChI

InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

InChIKey

BTJIUGUIPKRLHP-UHFFFAOYSA-N

Smiles

Oc1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 unreported 150mg/kg (150mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 97, 1971.
dog LDLo intravenous 10mg/kg (10mg/kg)   U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 131, 1941.
frog LDLo subcutaneous 60mg/kg (60mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: TREMOR		 Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.
guinea pig LD50 skin > 1gm/kg (1000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0570918,
guinea pig LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: COMA		 Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.
mammal (species unspecified) LD50 oral 247mg/kg (247mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified) LD50 skin 920mg/kg (920mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified) LD50 unreported 175mg/kg (175mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 13, 1974.
mouse LD50 intracrebral 90mg/kg (90mg/kg)   Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978.
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 282mg/kg (282mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 National Technical Information Service. Vol. OTS0570918,
pigeon LDLo intramuscular 65mg/kg (65mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 187, 1933.
rabbit LDLo oral 600mg/kg (600mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 National Technical Information Service. Vol. 0TS0518150,
rabbit LDLo skin 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 National Technical Information Service. Vol. 0TS0518150,
rat LD50 oral 202mg/kg (202mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 National Technical Information Service. Vol. 0TS0518152,
rat LD50 skin 1024mg/kg (1024mg/kg)   National Technical Information Service. Vol. 0TS0516686,
rat LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: MUSCLE WEAKNESS		 Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 113.8 deg C   EXP
Boiling Point 279 deg C   EXP
pKa Dissociation Constant 7.15 (none) 25 EXP
log P (octanol-water) 1.91 (none)   EXP
Water Solubility 1.16E+04 mg/L 20 EXP
Henry's Law Constant 4.15E-10 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.42E-12 cm3/molecule-sec 25 EST

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