2-Propenoic acid,3-(4-bromophenyl)-, methyl ester supplier

Name
Methyl (E)-3-(4-bromophenyl)acrylate
EINECS
CAS No. 3650-78-0
Article Data97
CAS DataBase
Density 1.447 g/cm³
Solubility
Melting Point 84-86 °C
Formula C₁₀H₉BrO₂
Boiling Point 311.4 °C at 760 mmHg
Molecular Weight 241.084
Flash Point 142.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Cinnamicacid, p-bromo-, methyl ester (6CI,7CI,8CI);Methyl 3-(4-bromophenyl)acrylate;Methyl p-Bromocinnamate;
PSA 26.30000
LogP 2.63530

2-Propenoic acid,3-(4-bromophenyl)-, methyl ester Specification

The 2-Propenoic acid,3-(4-bromophenyl)-, methyl ester is an organic compound with the formula C₁₀H₉BrO₂. The systematic name of this chemical is methyl (2E)-3-(4-bromophenyl)prop-2-enoate. With the CAS registry number 3650-78-0, it is also named as Methyl trans-4-bromocinnamate.

Physical properties about 2-Propenoic acid,3-(4-bromophenyl)-, methyl ester are: (1)ACD/LogP: 3.07; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 26.3 Å²; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 56.24 cm³; (7)Molar Volume: 166.5 cm³; (8)Polarizability: 22.29×10^-24cm³; (9)Surface Tension: 42.4 dyne/cm; (10)Density: 1.447 g/cm³; (11)Flash Point: 142.2 °C; (12)Enthalpy of Vaporization: 55.24 kJ/mol; (13)Boiling Point: 311.4 °C at 760 mmHg; (14)Vapour Pressure: 0.000563 mmHg at 25°C.

Preparation: this chemical can be prepared by bromoacetic acid methyl ester and 4-bromo-benzaldehyde. This reaction will need reagent (n-Bu)₃P, zinc powder. The reaction time is 10 hours with reaction temperature of 100 °C. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(/C=C/C(=O)OC)cc1
(2)InChI: InChI=1/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
(3)InChIKey: MFKOGXVHZUSUAF-QPJJXVBHBF
(4)Std. InChI: InChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
(5)Std. InChIKey: MFKOGXVHZUSUAF-QPJJXVBHSA-N

Product Name

Methyl (E)-3-(4-bromophenyl)acrylate

2-Propenoic acid,3-(4-bromophenyl)-, methyl ester Specification

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