-
Name
Methyl 5-bromovalerate
- EINECS 5454-83-1
- CAS No. 5454-83-1
- Article Data35
- CAS DataBase
- Density 1.352 g/cm3
- Solubility Slightly soluble in water.
- Melting Point
- Formula C6H11BrO2
- Boiling Point 188.2 °C at 760 mmHg
- Molecular Weight 195.056
- Flash Point 99.4 °C
- Transport Information
- Appearance Clear colourless to brown liquid
- Safety 23-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Valericacid, 5-bromo-, methyl ester (7CI,8CI);5-Bromopentanoic acid methyl ester;5-Bromovaleric acid methyl ester;Methyl 5-bromopentanoate;Methyl5-bromovalerate;Methyl d-bromovalerate;Methyl w-bromopentanoate;NSC 23228;
- PSA 26.30000
- LogP 1.72460
Methyl 5-bromovalerate Chemical Properties
Product Name: Methyl 5-bromovalerate (CAS NO.5454-83-1)
Molecular Formula: C6H11BrO2
Molecular Weight: 195.05g/mol
Mol File: 5454-83-1.mol
EINECS: 226-709-7
Refractive index: n20/D 1.463(lit.)
Index of Refraction: 1.457
Molar Refractivity: 39.35 cm3
Molar Volume: 144.2 cm3
Surface Tension: 33.7 dyne/cm
Density: 1.352 g/cm3
Flash Point: 99.4 °C
Enthalpy of Vaporization: 42.44 kJ/mol
Boiling Point: 188.2 °C at 760 mmHg
Vapour Pressure: 0.607 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Methyl 5-bromovalerate (CAS NO.5454-83-1):
IUPAC Name: methyl 5-bromopentanoate
Canonical SMILES: COC(=O)CCCCBr
InChI: InChI=1S/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3
InChIKey: RAVVJKCSZXAIQP-UHFFFAOYSA-N
Product Categories: C6 to C7; Carbonyl Compounds; Esters
Methyl 5-bromovalerate Safety Profile
Safety Information of Methyl 5-bromovalerate (CAS NO.5454-83-1):
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
HS Code: 29159080
Methyl 5-bromovalerate Specification
Methyl 5-bromovalerate , its CAS NO. is 5454-83-1, the synonyms are Methyl omega-bromopentanoate ; Pentanoic acid, 5-bromo-, methyl ester ; Valeric acid, 5-bromo-, methyl ester (8CI) .
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