Name
|
|
EINECS
|
225-523-3
|
CAS No.
|
4897-84-1
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Density
|
1.417 g/cm3
|
PSA
|
26.30000
|
LogP
|
1.33450
|
Solubility
|
insoluble in water
|
Melting Point
|
175-190 °C
|
Formula
|
C5H9BrO2
|
Boiling Point
|
186.5 °C at 760 mmHg
|
Molecular Weight
|
181.029
|
Flash Point
|
87 °C
|
Transport Information
|
N/A
|
Appearance
|
Clear colorless to pale yellow liquid
|
Safety
|
37/39-26
|
Risk Codes
|
36/37/38-22
|
Molecular Structure
|
|
Hazard Symbols
|
Xn
|
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;
|
Article Data |
44
|
Methyl 4-bromobutyrate Synthetic route
Methyl 4-bromobutyrate Chemical Properties
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
Methyl 4-bromobutyrate 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.
Methyl 4-bromobutyrate Specification
Methyl 4-bromobutyrate , its CAS NO. is 4897-84-1, the synonym is 4-Bromobutyric acid methyl ester .