CAS No.26330-51-8,Methyl 2-bromo-3-methylbutanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26330-51-8
Name:	Methyl 2-bromo-3-methylbutanoate
Article Data:	7

Formula:	C₆H₁₁BrO₂
Molecular Weight:	195.056
Synonyms:	Butyricacid, 2-bromo-3-methyl-, methyl ester (6CI,8CI);2-Bromo-3-methylbutyric acidmethyl ester;Methyl 2-bromo-3-methylbutanoate;Methyl2-bromo-3-methylbutyrate;Methyl a-bromo-b-methylbutyrate;Methyl a-bromoisovalerate;NSC 21975;Methyl-2-bromoisovalerate;
Density:	1.345 g/cm³
Boiling Point:	177 °C at 760 mmHg
Flash Point:	60.8 °C
Appearance:	colorless liquid
PSA:	26.30000
LogP:	1.57890

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Specification

This chemical is called Butanoic acid, 2-bromo-3-methyl-, methyl ester, and its CAS registry number is 26330-51-8. With the molecular formula of C₆H₁₁BrO₂, its molecular weight is 195.05. Additionally, it's used as organic synthesis intermediates, refrigerant.

Other characteristics of the Butanoic acid, 2-bromo-3-methyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.06; (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: 1.454; (8)Molar Refractivity: 39.27 cm³; (9)Molar Volume: 144.9 cm³; (10)Polarizability: 15.56×10^-24cm³; (11)Surface Tension: 31.1 dyne/cm; (12)Density: 1.345 g/cm³; (13)Flash Point: 60.8 °C; (14)Enthalpy of Vaporization: 41.33 kJ/mol; (15)Boiling Point: 177 °C at 760 mmHg; (16)Vapour Pressure: 1.06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrC(C(=O)OC)C(C)
2.InChI: InChI=1/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3
3.InChIKey: CKDTYRDFEIGXNO-UHFFFAOYAY