CAS 590-92-1|3-Bromopropanoic acid
| Common Name | 3-Bromopropanoic acid | ||
|---|---|---|---|
| CAS Number | 590-92-1 | Molecular Weight | 152.975 |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 239.5±23.0 °C at 760 mmHg |
| Molecular Formula | C3H5BrO2 | Melting Point | 58-62 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 65.6±0.0 °C |
| Symbol | GHS05 | Signal Word | Danger |
Names
| Name | 3-Bromopropionic acid |
|---|---|
| Synonym | More Synonyms |
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 |
| InChIKey | DHXNZYCXMFBMHE-UHFFFAOYSA-N |
| SMILES | O=C(O)CCBr |
| Water Solubility | 0.1 g/mL |
Toxicological Information
CHEMICAL IDENTIFICATION |
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
- 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 |
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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| A transition-state analysis of the enzyme catalysis in the affinity labelling of horse-liver alcohol dehydrogenase by bromoacids. Eur. J. Biochem. 126(2) , 247-52, (1982) 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) An accurate and precise method was developed for the detection and quantification of 3-bromopropionic acid (3-BPA), a metabolite and biomarker for exposure to 1-bromopropane (1-BP). 1-BP is used as an... |
Synonyms
| 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 |
