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| CAS No.: | 4897-84-1 |
|---|---|
| Name: | Methyl 4-bromobutyrate |
| Molecular Structure: | |
|
|
|
| Formula: | C5H9BrO2 |
| Molecular Weight: | 181.029 |
| Synonyms: | Butyricacid, 4-bromo-, methyl ester (6CI,7CI,8CI);4-Bromobutanoic acid methyl ester;4-Bromobutyric acid methyl ester;Methyl 4-bromobutanoate;Methyl g-bromobutyrate;Methyl w-bromobutyrate; |
| EINECS: | 225-523-3 |
| Density: | 1.417 g/cm3 |
| Melting Point: | 175-190 °C |
| Boiling Point: | 186.5 °C at 760 mmHg |
| Flash Point: | 87 °C |
| Solubility: | insoluble in water |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 26.30000 |
| LogP: | 1.33450 |
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| Conditions | Yield |
|---|---|
| With acetyl chloride at 0 - 20℃; for 18h; Inert atmosphere; | 100% |
| With thionyl chloride at 0 - 20℃; | 89% |
| With thionyl chloride at 0 - 20℃; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| In benzene for 1h; | 100% |
| at 0 - 20℃; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 23℃; for 48h; | 90% |
| Stage #1: 4-butanolide With hydrogen bromide; acetic acid at 75℃; for 4h; Stage #2: methanol at 20℃; | 86% |
| Stage #1: 4-butanolide With hydrogen bromide In acetic acid at 75℃; for 4h; Stage #2: methanol In acetic acid at 20℃; | 86% |
| Conditions | Yield |
|---|---|
| at 0 - 25℃; for 72.5h; | 83.4% |
| Conditions | Yield |
|---|---|
| titanium(IV) tetraethanolate for 24h; Heating; | 83% |
| Conditions | Yield |
|---|---|
| With di(n-butyl)tin oxide In methanol for 12h; Heating; | 77% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide Erwaermen des Reaktionsprodukts mit Schwefelsaeure enthaltendem Methanol und mit 1,2 Dichlor-aethan; |
| Conditions | Yield |
|---|---|
| With pentane; dibenzoyl peroxide at 100℃; |
| Conditions | Yield |
|---|---|
| In diethyl ether |
- 591235-25-5
γ-Diazobuttersaeure-methylester
- 4897-84-1
Methyl 4-bromobutyrate
| Conditions | Yield |
|---|---|
| With hydrogen bromide In diethyl ether |
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Chemistry
Product Name: Methyl 4-bromobutyrate (CAS NO.4897-84-1)
Molecular Formula: C5H9BrO2
Molecular Weight: 181.03g/mol
Mol File: 4897-84-1.mol
EINECS: 225-523-3
Appearance: Clear colorless to pale yellow liquid
Boiling point: 186.5 °C at 760 mmHg
Flash Point: 87 °C
Density: 1.417 g/cm3
Refractive index: 1.4620
Water Solubility: insoluble
Index of Refraction: 1.455
Molar Refractivity: 34.71 cm3
Molar Volume: 127.7 cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 42.27 kJ/mol
Vapour Pressure: 0.661 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Methyl 4-bromobutyrate (CAS NO.4897-84-1):
IUPAC Name: methyl 4-bromobutanoate
Canonical SMILES: COC(=O)CCCBr
InChI: InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChIKey: QAWFLJGZSZIZHO-UHFFFAOYSA-N
Product Categories: Miscellaneous
Safety Profile
Safety Information of Methyl 4-bromobutyrate (CAS NO.4897-84-1):
Hazard Codes: Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Specification
Methyl 4-bromobutyrate , its CAS NO. is 4897-84-1, the synonym is 4-Bromobutyric acid methyl ester .