4-Bromo-alpha-hydroxy-gamma-oxobenzenebutanoic acid

Modify Date: 2025-08-25 13:58:30

4-Bromo-alpha-hydroxy-gamma-oxobenzenebutanoic acid Structure
4-Bromo-alpha-hydroxy-gamma-oxobenzenebutanoic acid structure
Common Name 4-Bromo-alpha-hydroxy-gamma-oxobenzenebutanoic acid
CAS Number 81008-11-9 Molecular Weight 273.08000
Density 1.678g/cm3 Boiling Point 502.1ºC at 760 mmHg
Molecular Formula C10H9BrO4 Melting Point N/A
MSDS N/A Flash Point 257.5ºC

 Names

Name 4-(4-Bromophenyl)-2-hydroxy-4-oxobutanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.678g/cm3
Boiling Point 502.1ºC at 760 mmHg
Molecular Formula C10H9BrO4
Molecular Weight 273.08000
Flash Point 257.5ºC
Exact Mass 271.96800
PSA 74.60000
LogP 1.46740
Index of Refraction 1.608
InChIKey ADUIVVOYSJOWHK-UHFFFAOYSA-N
SMILES O=C(CC(O)C(=O)O)c1ccc(Br)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY9043125
CHEMICAL NAME :
Benzenebutanoic acid, 4-bromo-alpha-hydroxy-gamma-oxo-
CAS REGISTRY NUMBER :
81008-11-9
LAST UPDATED :
199701
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-Br-O4
MOLECULAR WEIGHT :
273.10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2074575

 Synonyms

4-(4-Bromophenyl)-4-oxo-2-hydroxybutanoic acid
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