Ethyl 2-bromoisonicotinate supplier

Name
ETHYL 2-BROMOISONICOTINATE
EINECS
CAS No. 89978-52-9
Article Data7
CAS DataBase
Density 1.501 g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₂
Boiling Point 282.9 °C at 760 mmHg
Molecular Weight 230.061
Flash Point 124.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Isonicotinicacid, 2-bromo-, ethyl ester (7CI);2-Bromo-4-pyridinecarboxylic acid ethylester;2-Bromoisonicotinic acid ethyl ester;Ethyl2-bromo-4-pyridinecarboxylate;Ethyl 2-bromoisonicotinate;
PSA 39.19000
LogP 2.02080

Ethyl 2-bromoisonicotinate Specification

The 4-Pyridinecarboxylicacid, 2-bromo-, ethyl ester, with CAS registry number 89978-52-9, belongs to the following product category: Pyridines. It has the systematic name of ethyl 2-bromopyridine-4-carboxylate. And the chemical formula of this chemical is C₈H₈BrNO₂.

Physical properties of 4-Pyridinecarboxylicacid, 2-bromo-, ethyl ester: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å²; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 48.44 cm³; (9)Molar Volume: 153.2 cm³; (10)Polarizability: 19.2×10^-24cm³; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.501 g/cm³; (13)Flash Point: 124.9 °C; (14)Enthalpy of Vaporization: 52.17 kJ/mol; (15)Boiling Point: 282.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00327 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccnc(c1)Br
(2)InChI: InChI=1/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3
(3)InChIKey: SBNQZJXLQLUESH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3
(5)Std. InChIKey: SBNQZJXLQLUESH-UHFFFAOYSA-N

Product Name

ETHYL 2-BROMOISONICOTINATE

Ethyl 2-bromoisonicotinate Specification

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