Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4,4,4-TRINITROBUTYRIC ACID
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Purity: 98.0%
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5029-46-9

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: 2025-08-25 12:23:22

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

509-14-8

79-10-7

~48%

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

37460-67-6

~77%

5029-46-9

10123-09-8

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

517-25-9

79-10-7

5029-46-9

Literature: Frankel,M.B. Tetrahedron, Supplement, 1963 , vol. 4, p. 213 - 217

Precursor 4
509-14-8 79-10-7 37460-67-6 517-25-9
DownStream 1
87695-55-4

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%

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