5029-46-9

5029-46-9 structure
5029-46-9 structure
  • Name: 4,4,4-TRINITROBUTYRIC ACID
  • Chemical Name: 4,4,4-trinitrobutanoic acid
  • CAS Number: 5029-46-9
  • Molecular Formula: C4H5N3O8
  • Molecular Weight: 223.09800
  • Create Date: 2016-10-05 23:48:13
  • Modify Date: 2024-01-10 16:04:24

Name 4,4,4-trinitrobutanoic acid
Synonyms Butyric acid,4,4,4-trinitro
BA 2759
USAF SE-3
BUTANOIC ACID,4,4,4-TRINITRO
4,4,4-Trinitrobutyric acid
Density 1.748g/cm3
Boiling Point 347.4ºC at 760 mmHg
Molecular Formula C4H5N3O8
Molecular Weight 223.09800
Flash Point 156.4ºC
Exact Mass 223.00800
PSA 174.76000
LogP 0.90470
Index of Refraction 1.542

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK8400000
CHEMICAL NAME :
Butanoic acid, 4,4,4-trinitro-
CAS REGISTRY NUMBER :
5029-46-9
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H5-N3-O8
MOLECULAR WEIGHT :
223.12
WISWESSER LINE NOTATION :
WNXNWNW2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
275 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 30,56,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
HS Code 2915900090

~48%

5029-46-9 structure

5029-46-9

Literature: Volkova, Yulia A.; Averina, Elena B.; Grishin, Yuri K.; Bruheim, Per; Kuznetsova, Tamara S.; Zefirov, Nikolai S. Journal of Organic Chemistry, 2010 , vol. 75, # 9 p. 3047 - 3052

~77%

5029-46-9 structure

5029-46-9

Literature: Nurgatin, V. V.; Sharnin, G. P.; Savel'eva, L. A.; Nurgatina, R. B. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 11 p. 2167 - 2169 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 11 p. 2425 - 2428

~%

5029-46-9 structure

5029-46-9

Literature: Frankel,M.B. Tetrahedron, Supplement, 1963 , vol. 4, p. 213 - 217
HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%