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Substance Name: m-Nitroacetophenone
RN: 121-89-1
UNII: SU4B5T763F
InChIKey: ARKIFHPFTHVKDT-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C8-H7-N-O3

Molecular Weight

  • 165.147
 
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Names and Synonyms

Name of Substance

  • m-Nitroacetophenone

Synonyms

  • (3-Nitrophenyl) methyl ketone
  • 1-(3-Nitrophenyl)ethanone
  • 3'-Nitroacetophenone
  • 3-Nitroacetofenon
  • 3-Nitroacetofenon [Czech]
  • 3-Nitroacetophenone
  • Acetophenone, 3'-nitro-
  • AI3-02242
  • CCRIS 2330
  • EINECS 204-504-3
  • Ethanone, 1-(3-nitrophenyl)-
  • HSDB 2710
  • m-Acetylnitrobenzene
  • m-Nitroacetophenone
  • Methyl 3-nitrophenyl ketone
  • NSC 5511
  • UNII-SU4B5T763F
  • USAF MA-1

Systematic Names

  • 3'-Nitroacetophenone
  • Acetophenone, 3'-nitro-
  • Ethanone, 1-(3-nitrophenyl)-
  • m-Nitroacetophenone

Registry Numbers

CAS Registry Number

  • 121-89-1

FDA UNII

  • SU4B5T763F

System Generated Number

  • 0000121891

Structure Descriptors

InChI

1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3

InChIKey

ARKIFHPFTHVKDT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin 3mL/kg (3mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 3250mg/kg (3250mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 81 deg C   EXP
Boiling Point 202 deg C   EXP
log P (octanol-water) 1.42 (none)   EXP
Water Solubility 750 mg/L 25 EST
Vapor Pressure 2.40E-03 mm Hg 25 EST
Henry's Law Constant 9.10E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.94E-13 cm3/molecule-sec 25 EST

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