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27704-96-7

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Basic Information
CAS No.: 27704-96-7
Name: METHYL 2-BROMO-3-METHOXYPROPIONATE
Article Data: 18
Molecular Structure:
Molecular Structure of 27704-96-7 (METHYL 2-BROMO-3-METHOXYPROPIONATE)
Formula: C5H9BrO3
Molecular Weight: 197.029
Synonyms: Propionicacid, 2-bromo-3-methoxy-, methyl ester (6CI,7CI,8CI);Methyl2-bromo-3-methoxypropionate;Methyl a-bromo-b-methoxypropionate;NSC 526514;
Density: 1.465 g/cm3
Boiling Point: 221 °C at 760 mmHg
Flash Point: 87.5 °C
Hazard Symbols: IrritantXi; FlammableF
Risk Codes: 10
Safety: 16
Transport Information: 3272
PSA: 35.53000
LogP: 0.56930
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Specification

The cas register number of Methyl 2-bromo-3-methoxypropanoate is 27704-96-7. It also can be called as Methyl 2-bromo-3-methoxypropionate and the IUPAC Name about this chemical is methyl 2-bromo-3-methoxypropanoate. This chemical is flammable. When you are using it, please keep away from sources of ignition.

Physical properties about Methyl 2-bromo-3-methoxypropanoate are: (1)ACD/LogP: 1.25; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 35.53Å2; (5)Index of Refraction: 1.454; (6)Molar Refractivity: 36.42 cm3; (7)Molar Volume: 134.4 cm3; (8)Polarizability: 14.43x10-24cm3; (9)Surface Tension: 34.1 dyne/cm; (10)Enthalpy of Vaporization: 45.74 kJ/mol; (11)Vapour Pressure: 0.11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COCC(C(=O)OC)Br
(2)InChI: InChI=1S/C5H9BrO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3
(3)InChIKey: NVBLRKGCQVZDMQ-UHFFFAOYSA-N