3-Bromopropanoic acid

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Names

[ CAS No. ]:
590-92-1

[ Name ]:
3-Bromopropanoic acid

[Synonym ]:
β-Bromopropanoic acid
EINECS 209-694-1
3-Bromopropionic acid
MFCD00002763
Propanoic acid, 3-bromo-
3-Bromopropanoic acid
PROPIONIC ACID, 3-BROMO-
β-Bromopropionic acid
3-Bromopropionic

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
239.5±23.0 °C at 760 mmHg

[ Melting Point ]:
58-62 °C(lit.)

[ Molecular Formula ]:
C3H5BrO2

[ Molecular Weight ]:
152.975

[ Flash Point ]:
65.6±0.0 °C

[ Exact Mass ]:
151.947281

[ PSA ]:
37.30000

[ LogP ]:
0.69

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.500

[ Water Solubility ]:
0.1 g/mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE7875000
CHEMICAL NAME :
Propionic acid, 3-bromo-
CAS REGISTRY NUMBER :
590-92-1
BEILSTEIN REFERENCE NO. :
1071333
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C3-H5-Br-O2
MOLECULAR WEIGHT :
152.99
WISWESSER LINE NOTATION :
QV2E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
580 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
25 ug/plate
REFERENCE :
DHEFDK HEW Publication (FDA. United States). (Washington, DC) ?-1979(?). For publisher information, see HPFSDS. Volume(issue)/page/year: FDA-78-1046,1978

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
F:Flammable;C:Corrosive;

[ Risk Phrases ]:
R11;R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
UE7875000

[ Packaging Group ]:
III

[ Hazard Class ]:
4.1

[ HS Code ]:
2915501000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • hydracrylonitrile
  • β-Propiolactone
  • tert-Butyl 3-broMopropionate
  • 3-Bromopropan-1-ol
  • Butylmagnesium Bromide
  • tert-Butyl(3-butynyloxy)diphenylsilane
  • 3-Bromopropionitrile
  • Acrylic acid
  • beta-Alanine
  • 4-Pentynoic acid

DownStream

  • 3-(3-carbamoylpyridin-1-ium-1-yl)propanoic acid,bromide
  • 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID
  • Hydroxypropionic acid
  • Acrylic acid
  • Methyl 3-bromopropanoate
  • Propanoic acid,3-(4-chlorophenoxy)-
  • 3,4-Dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
  • (2-Carboxyethyl)(triphenyl)phosphonium bromide
  • Ethyl 3-bromopropanoate
  • 3,3,3-Trifluoropropyl Bromide

Customs

[ 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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The effect of temperature on the inactivation of liver alcohol dehydrogenase and on the alkylation of a model thiol free in solution by bromoacetate, 2-bromopropionate, 3-bromopropionate and 2-bromo-3...

Development of a gas chromatographic test for the quantification of the biomarker 3-bromopropionic acid in human urine.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 802(2) , 361-6, (2004)

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Related Compounds

  • 2-benzyl-3-bromopropanoic acid
  • 2-phenyl-3-bromopropanoic acid
  • 2-methyl 3-bromopropanoic acid
  • 3-Bromopropanoic acid ethyl ester
  • 3-Bromopropanoic acid methyl ester
  • (2R)-2-amino-3-bromopropanoic acid
  • methyl 4-amino-3-(1-ethyl-1H-pyrazol-3-yl)butanoate
  • rac-(1R,2R)-2-(2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
  • (1S)-2-amino-1-(5-chloro-2,3-dimethoxyphenyl)ethan-1-ol
  • 3-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-amine
  • O-[2-methyl-2-(thian-3-yl)propyl]hydroxylamine
  • 3-(3-Methyl-5-(tetrahydrofuran-2-yl)-4H-1,2,4-triazol-4-yl)propan-1-amine
  • 3-Amino-2-methyl-2-(5-phenylthiophen-2-yl)propan-1-ol
  • 2-(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
  • 5-(6-Chloropyridin-3-yl)-1,3-oxazol-2-amine
  • tert-butyl N-[1-amino-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)propan-2-yl]carbamate
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