Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-bromo-3-methylbutanoate |
EINECS | N/A |
CAS No. | 26330-51-8 | Density | 1.345 g/cm3 |
PSA | 26.30000 | LogP | 1.57890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H11BrO2 | Boiling Point | 177 °C at 760 mmHg |
Molecular Weight | 195.056 | Flash Point | 60.8 °C |
Transport Information | N/A | Appearance | colorless liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 7 |
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