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Substance Name: Butanoic acid, 4,4,4-trinitro-
RN: 5029-46-9
InChIKey: ALYGFHXDFBTXMD-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-N3-O8

Molecular Weight

  • 223.096
 
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Names and Synonyms

Synonyms

  • 4,4,4-Trinitrobutanoic acid
  • 4,4,4-Trinitrobutyric acid
  • BA 2759
  • BRN 1914519
  • Butyric acid, 4,4,4-trinitro-
  • gamma,gamma,gamma-Trinitrobutyric acid
  • NSC 71733
  • USAF SE-3

Systematic Names

  • Butanoic acid, 4,4,4-trinitro-
  • Butyric acid, 4,4,4-trinitro- (8CI)

Registry Numbers

CAS Registry Number

  • 5029-46-9

System Generated Number

  • 0005029469

Structure Descriptors

InChI

1S/C4H5N3O8/c8-3(9)1-2-4(5(10)11,6(12)13)7(14)15/h1-2H2,(H,8,9)

InChIKey

ALYGFHXDFBTXMD-UHFFFAOYSA-N

Smiles

C(CCC(O)=O)([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 30mg/m3 (30mg/m3)   "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 134, 1999.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 728mg/kg (728mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 134, 1999.
rat LC inhalation > 30mg/m3 (30mg/m3)   "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 134, 1999.
rat LD50 oral 708mg/kg (708mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 134, 1999.
rat LD50 unreported 275mg/kg (275mg/kg)   Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.
rat LDLo intratracheal 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION

BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 134, 1999.