Methyl 5-(bromomethyl)pyridine-2-carboxylate supplier

Name
Methyl-5-bromomethylpyridine-2-carboxylate
EINECS
CAS No. 55876-84-1
Article Data9
CAS DataBase
Density 1.533g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₂
Boiling Point 334 °C at 760 mmHg
Molecular Weight 230.061
Flash Point 155.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl-5-bromomethylpyridine-2-carboxylate;5-bromomethylpyridine-2-carboxylic acid methyl ester;METHYL 5-(BROMOMETHYL)PICOLINATE;
PSA 39.19000
LogP 1.76310

Methyl 5-(bromomethyl)pyridine-2-carboxylate Specification

The Methyl-5-bromomethylpyridine-2-carboxylate, with CAS registry number 55876-84-1, has the systematic name of methyl 5-(bromomethyl)pyridine-2-carboxylate. Besides this, it is also called 2-pyridinecarboxylic acid, 5-(bromomethyl)-, methyl ester. And the chemical formula of this chemical is C₈H₈BrNO₂.

Physical properties of Methyl-5-bromomethylpyridine-2-carboxylate: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.85; (6)ACD/BCF (pH 7.4): 4.85; (7)ACD/KOC (pH 5.5): 107.72; (8)ACD/KOC (pH 7.4): 107.73; (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: 1.563; (14)Molar Refractivity: 48.76 cm³; (15)Molar Volume: 150 cm³; (16)Polarizability: 19.33×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.533 g/cm³; (19)Flash Point: 155.8 °C; (20)Enthalpy of Vaporization: 57.69 kJ/mol; (21)Boiling Point: 334 °C at 760 mmHg; (22)Vapour Pressure: 0.000132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(CBr)cn1
(2)InChI: InChI=1/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4H2,1H3
(3)InChIKey: SIMKVUKTEMRUSF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4H2,1H3
(5)Std. InChIKey: SIMKVUKTEMRUSF-UHFFFAOYSA-N

Product Name

Methyl-5-bromomethylpyridine-2-carboxylate

Methyl 5-(bromomethyl)pyridine-2-carboxylate Specification

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