Introduction：Basic information about CAS 3395-91-3|Methyl 3-bromopropanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 3-bromopropanoate |
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| CAS Number | 3395-91-3 | Molecular Weight | 167.001 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 166.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C4H7BrO2 | Melting Point | 75°C |
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| MSDS | ChineseUSA | Flash Point | 75.0±0.0 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | methyl 3-bromopropanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 166.5±0.0 °C at 760 mmHg |
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| Melting Point | 75°C |
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| Molecular Formula | C4H7BrO2 |
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| Molecular Weight | 167.001 |
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| Flash Point | 75.0±0.0 °C |
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| Exact Mass | 165.962936 |
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| PSA | 26.30000 |
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| LogP | 1.15 |
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| Vapour Pressure | 1.8±0.3 mmHg at 25°C |
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| Index of Refraction | 1.453 |
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| InChIKey | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
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| SMILES | COC(=O)CCBr |
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| Storage condition | Store at R.T. |
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| Water Solubility | Immiscible |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UA2451790
- CHEMICAL NAME :
- Propanoic acid, 3-bromo-, methyl ester
- CAS REGISTRY NUMBER :
- 3395-91-3
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C4-H7-Br-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Vascular - regional or general arteriolar or venous dilation
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570991
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| WGK Germany | 3 |
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| RTECS | UA2451790 |
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| Packaging Group | I; II; III |
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| Hazard Class | 6.1 |
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| HS Code | 29159080 |
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Customs
| HS Code | 2915900090 |
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| 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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| Samarium diiodide promoted spirolactonization of cycloalkanones. Hua Z, et al. Tetrahedron 47(34) , 7037-7044, (1991)
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Synonyms
| Methyl 3-Bromopropionate |
| Methyl 3-bromopropanoate |
| Propionic acid, 3-bromo-, methyl ester (8CI) |
| Propanoic acid, 3-bromo-, methyl ester |
| Propanoic acid,3-bromo-,methyl ester |
| MFCD00000250 |
| EINECS 222-247-5 |
| Propionic acid,3-bromo-,methyl ester |
| Methyl β-bromopropionate |
| 3-Bromopropanoic acid methyl ester |
| 3-Bromopropionic Acid Methyl Ester |
