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CAS No.: | 21190-88-5 |
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Name: | 6-BROMOPYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H8BrNO2 |
Molecular Weight: | 230.061 |
Synonyms: | Picolinicacid, 6-bromo-, ethyl ester (8CI);2-Bromo-6-ethoxycarbonylpyridine;6-Bromopicolinic acid ethyl ester;Ethyl 6-bromo-2-picolinate;Ethyl6-bromo-2-pyridinecarboxylate; |
EINECS: | 673-818-4 |
Density: | 1.501 g/cm3 |
Melting Point: | 41-42 °C |
Boiling Point: | 302.7 °C at 760 mmHg |
Flash Point: | 136.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 39.19000 |
LogP: | 2.02080 |
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This chemical is called Ethyl 6-bromopyridine-2-carboxylate, and its CAS registry number is 21190-88-5. With the molecular formula of C8H8BrNO2, its molecular weight is 230.06. Additionally, its product categories are Blocks; Bromides; Pyridines; Pyridine Series.
Other characteristics of the Ethyl 6-bromopyridine-2-carboxylate can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.59; (6)ACD/BCF (pH 7.4): 12.59; (7)ACD/KOC (pH 5.5): 213.27; (8)ACD/KOC (pH 7.4): 213.27; (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: 1.544; (14)Molar Refractivity: 48.44 cm3; (15)Molar Volume: 153.2 cm3; (16)Polarizability: 19.2×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.501 g/cm3; (19)Flash Point: 136.9 °C; (20)Enthalpy of Vaporization: 54.3 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000973 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1nc(Br)ccc1
2.InChI: InChI=1/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3
3.InChIKey: OONBOXSIWCBAHZ-UHFFFAOYAL