3-(3-Bromo-4-methoxyphenyl)propanoic acid supplier

Name
3-(3-BroMo-4-Methoxyphenyl)propionic acid, 96%
EINECS
CAS No. 1857-57-4
Article Data6
CAS DataBase
Density 1.492 g/cm³
Solubility
Melting Point 96-100℃
Formula C₁₀H₁₁BrO₃
Boiling Point 371.3 °C at 760 mmHg
Molecular Weight 259.1
Flash Point 178.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, 3-bromo-4-methoxy- (7CI,8CI);3-(3-Bromo-4-methoxyphenyl)propanoic acid;3-(3-Bromo-4-methoxyphenyl)propionic acid;3-Bromo-4-Methoxyphenylpropionicacid;
PSA 46.53000
LogP 2.47490

3-(3-Bromo-4-methoxyphenyl)propanoic acid Specification

The Benzenepropanoicacid, 3-bromo-4-methoxy- is an organic compound with the formula C₁₀H₁₁BrO₃. The systematic name of this chemical is 3-(3-Bromo-4-methoxyphenyl)propanoic acid. With the CAS registry number 1857-57-4, it is also named as 3-(3-Bromo-4-methoxy-phenyl)-propionic acid. Besides, its molecular weight is 257.99.

The physical properties of Benzenepropanoicacid, 3-bromo-4-methoxy- are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): -0.4; (4)ACD/BCF (pH 5.5): 4.14; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 52.71; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 56.36 cm³; (14)Molar Volume: 173.5 cm³; (15)Polarizability: 22.3×10^-24 cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.492 g/cm³; (18)Flash Point: 178.3 °C; (19)Enthalpy of Vaporization: 65.23 kJ/mol; (20)Boiling Point: 371.3 °C at 760 mmHg; (21)Vapour Pressure: 3.6E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1OC)CCC(=O)O
(2)InChI: InChI=1/C10H11BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
(3)InChIKey: MLXVZRVWVCOUBQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H11BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
(5)Std. InChIKey: MLXVZRVWVCOUBQ-UHFFFAOYSA-N

Product Name

3-(3-BroMo-4-Methoxyphenyl)propionic acid, 96%

3-(3-Bromo-4-methoxyphenyl)propanoic acid Specification

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