-
Name
Ethyl 5-bromo-2-pyrazinecarboxylate
- EINECS
- CAS No. 36070-83-4
- Article Data2
- CAS DataBase
- Density 1.577 g/cm3
- Solubility
- Melting Point
- Formula C7H7BrN2O2
- Boiling Point 301.4 °C at 760 mmHg
- Molecular Weight 231.0467
- Flash Point 136.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pyrazinecarboxylic acid, 5-bromo-, ethyl ester (9CI);Ethyl5-bromo-2-pyrazinecarboxylate;Ethyl 5-bromo-2-pyrazinecarboxylate;ethyl 5-bromopyrazine-2-carboxylate;2-pyrazinecarboxylic acid, 5-bromo-, ethyl ester;
- PSA 52.08000
- LogP 1.41580
Ethyl 5-bromo-2-pyrazinecarboxylate Specification
The Ethyl 5-bromo-2-pyrazinecarboxylate, with the CAS registry number 36070-83-4, has the systematic name of ethyl 5-bromopyrazine-2-carboxylate. And the molecular formula of this chemical is C7H7BrN2O2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Ethyl 5-bromo-2-pyrazinecarboxylate are as following: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 5.21; (7)ACD/KOC (pH 5.5): 113.5; (8)ACD/KOC (pH 7.4): 113.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 46.53 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 18.44×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.577 g/cm3; (19)Flash Point: 136.1 °C; (20)Enthalpy of Vaporization: 54.15 kJ/mol; (21)Boiling Point: 301.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnc(Br)cn1
(2)InChI: InChI=1/C7H7BrN2O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3
(3)InChIKey: YMWDNHSAHXMMHH-UHFFFAOYAS
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