-
Name
Methyl 4-bromophenylacetate
- EINECS
- CAS No. 41841-16-1
- Article Data118
- CAS DataBase
- Density 1.445 g/cm3
- Solubility
- Melting Point 113-114 °C
- Formula C9H9BrO2
- Boiling Point 268.6 °C at 760 mmHg
- Molecular Weight 229.073
- Flash Point 116.3 °C
- Transport Information
- Appearance pale yellow oil
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Aceticacid, (p-bromophenyl)-, methyl ester (7CI);2-(4-Bromophenyl)acetic acid methylester;4-Bromophenylacetic acid methyl ester;Methyl (4-bromophenyl)acetate;Methyl 2-(4-bromophenyl)acetate;NSC 245163;
- PSA 26.30000
- LogP 2.16460
Methyl 4-bromophenylacetate Specification
The Benzeneacetic acid, 4-bromo-, methyl ester, with the CAS registry number 41841-16-1, is also known as 4-Bromophenyl acetic acid methyl ester. It belongs to the product category of Aromatics. This chemical's molecular formula is C9H9BrO2 and formula weight is 229.07. What's more, its IUPAC name is called methyl 2-(4-bromophenyl)acetate. This chemical is pale yellow oil. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzeneacetic acid, 4-bromo-, methyl ester: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 49.89 cm3; (9)Molar Volume: 158.4 cm3; (10)Surface Tension: 40.1 dyne/cm; (11)Density: 1.445 g/cm3; (12)Flash Point: 116.3 °C; (13)Enthalpy of Vaporization: 50.67 kJ/mol; (14)Boiling Point: 268.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0076 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1=CC=C(C=C1)Br
(2)InChI: InChI=1S/C9H9BrO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
(3)InChIKey: QHJOWSXZDCTNQX-UHFFFAOYSA-N
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