-
Name
5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester
- EINECS
- CAS No. 213771-32-5
- Article Data11
- CAS DataBase
- Density 1.503 g/cm3
- Solubility
- Melting Point
- Formula C8H8BrNO2
- Boiling Point 302.2 °C at 760 mmHg
- Molecular Weight 230.061
- Flash Point 136.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methyl5-bromo-3-methylpyridine-2-carboxylate;
- PSA 39.19000
- LogP 1.93910
methyl 5-bromo-3-methyl-pyridine-2-carboxylate Specification
The methyl 5-bromo-3-methyl-pyridine-2-carboxylate, with CAS registry number 213771-32-5, has the systematic name of Methyl 5-bromo-3-methylpyridine-2-carboxylate. Besides this, it is also called 5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester. And the chemical formula of this chemical is C8H8BrNO2.
Physical properties of methyl 5-bromo-3-methyl-pyridine-2-carboxylate: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.47; (6)ACD/BCF (pH 7.4): 18.47; (7)ACD/KOC (pH 5.5): 280.62; (8)ACD/KOC (pH 7.4): 280.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 48.63 cm3; (15)Molar Volume: 153 cm3; (16)Polarizability: 19.27×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.503 g/cm3; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 54.24 kJ/mol; (21)Boiling Point: 302.2 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cnc1C(=O)OC)Br
(2)InChI: InChI=1/C8H8BrNO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3
(3)InChIKey: KZPOANNAYCXMSH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8BrNO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3
(5)Std. InChIKey: KZPOANNAYCXMSH-UHFFFAOYSA-N
Related Products
- Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate
- Methyl (((methoxymethylphosphinothioyl)thio)acetyl)methylcarbamate
- Methyl (2-amino-5-methyl-1,3-thiazol-4-yl)acetate
- Methyl (2E)-3-(4-methylphenyl)propenoate
- Methyl (2E)-3-cyclohexylprop-2-enoate
- Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
- Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate
- Methyl (2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate
- Methyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropionate
- Methyl (2S)-1-(1,2-dioxo-3,3-dimethypentyl)-2-pyrrolidinecarboxylate
- 21377-80-0
- 213779-13-6
- 21378-21-2
- 21379-33-9
- 21381-61-3
- 21382-25-2
- 2138-22-9
- 2138-24-1
- 21382-98-9
- 213831-00-6
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View