Methyl 3-(4-bromophenyl)propanoate supplier

Name
methyl 3-(4-bromophenyl)propanoate
EINECS
CAS No. 75567-84-9
Article Data27
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO₂
Boiling Point 287.26 °C at 760 mmHg
Molecular Weight 243.1
Flash Point 127.53 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Bromophenyl)propionicacid methyl ester;Methyl 3-(4-bromophenyl)propionate;Methylp-bromophenylpropanoate;
PSA 26.30000
LogP 2.55470

Methyl 3-(4-bromophenyl)propanoate Specification

The Methyl 3-(4-bromophenyl)propanoate, with CAS registry number 75567-84-9, has the systematic name of methyl 3-(4-bromophenyl)propanoate. Besides this, it is also called benzenepropanoic acid, 4-bromo-, methyl ester. And the chemical formula of this chemical is C₁₀H₁₁BrO_2.

Physical properties of Methyl 3-(4-bromophenyl)propanoate: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 118; (6)ACD/BCF (pH 7.4): 118; (7)ACD/KOC (pH 5.5): 1060; (8)ACD/KOC (pH 7.4): 1060; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 54.533 cm³; (15)Molar Volume: 174.931 cm³; (16)Polarizability: 21.619×10^-24cm³; (17)Surface Tension: 39.543 dyne/cm; (18)Enthalpy of Vaporization: 52.642 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CCC(=O)OC
(2)InChI: InChI=1/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
(3)InChIKey: FKPYNBFWCSTPOT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
(5)Std. InChIKey: FKPYNBFWCSTPOT-UHFFFAOYSA-N

Product Name

methyl 3-(4-bromophenyl)propanoate

Methyl 3-(4-bromophenyl)propanoate Specification

Related Products

Hot Products