5-Bromo-2-methyl-nicotinic acid ethyl ester supplier

Name
5-Bromo-2-methyl-nicotinic acid ethyl ester
EINECS
CAS No. 129477-21-0
Article Data3
CAS DataBase
Density 1.44 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₉H₁₀BrNO₂
Boiling Point 263.036 °C at 760 mmHg
Molecular Weight 244.088
Flash Point 112.88 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, ethyl ester;Ethyl 5-bromo-2-methylnicotinate;
PSA 39.19000
LogP 2.32920

5-Bromo-2-methyl-nicotinic acid ethyl ester Specification

The 5-Bromo-2-methyl-nicotinic acid ethyl ester, with the CAS registry number 129477-21-0, is also known as 3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, ethyl ester. This chemical's molecular formula is C₉H₁₀BrNO₂ and molecular weight is 244.09. What's more, its systematic name is Ethyl 5-bromo-2-methylnicotinate.

Physical properties of 5-Bromo-2-methyl-nicotinic acid ethyl ester are: (1)ACD/LogP: 2.808; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.17; (6)ACD/BCF (pH 7.4): 80.18; (7)ACD/KOC (pH 5.5): 802.58; (8)ACD/KOC (pH 7.4): 802.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 53.265 cm³; (15)Molar Volume: 169.517 cm³; (16)Polarizability: 21.116×10^-24cm³; (17)Surface Tension: 43.04 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 112.88 °C; (20)Enthalpy of Vaporization: 50.085 kJ/mol; (21)Boiling Point: 263.036 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(Br)cnc1C
(2)Std. InChI: InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-4-7(10)5-11-6(8)2/h4-5H,3H2,1-2H3
(3)Std. InChIKey: QVKPPFGWQMCQCI-UHFFFAOYSA-N

Product Name

5-Bromo-2-methyl-nicotinic acid ethyl ester

5-Bromo-2-methyl-nicotinic acid ethyl ester Specification

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