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CAS No.: | 4897-84-1 |
---|---|
Name: | Methyl 4-bromobutyrate |
Article Data: | 44 |
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 |
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 |
γ-Diazobuttersaeure-methylester
Methyl 4-bromobutyrate
Conditions | Yield |
---|---|
With hydrogen bromide In diethyl ether |
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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 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.
Methyl 4-bromobutyrate , its CAS NO. is 4897-84-1, the synonym is 4-Bromobutyric acid methyl ester .