Pyrido[3,4-b]pyrazine,5-chloro- supplier

Name
5-CHLOROPYRIDO[4,3-B]PYRAZINE
EINECS
CAS No. 214045-82-6
Article Data5
CAS DataBase
Density 1.437 g/cm³
Solubility
Melting Point
Formula C₇H₄ClN₃
Boiling Point 314.2 °C at 760 mmHg
Molecular Weight 165.582
Flash Point 173 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-CHLOROPYRIDO[4,3-B]PYRAZINE;Pyrido[3,4-b]pyrazine, 5-chloro-;5-Chloropyrido[3,4-b]pyrazine;5-chloropyrido[3;5-Chloropyridino[3,4-b]pyrazine
PSA 38.67000
LogP 1.67820

Pyrido[3,4-b]pyrazine,5-chloro- Specification

The Pyrido[3,4-b]pyrazine,5-chloro-, with CAS registry number 214045-82-6, has the systematic name of 5-chloropyrido[3,4-b]pyrazine. Besides this, it is also called 5-Chloropyrido[4,3-b]pyrazine. And the chemical formula of this chemical is C₇H₄ClN₃. Its molecular weight is 165.57976.

Physical properties of Pyrido[3,4-b]pyrazine,5-chloro-: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.19; (8)ACD/KOC (pH 7.4): 36.2; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 43.26 cm³; (15)Molar Volume: 115.1 cm³; (16)Polarizability: 17.15×10^-24cm³; (17)Surface Tension: 66.9 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 173 °C; (20)Enthalpy of Vaporization: 53.32 kJ/mol; (21)Boiling Point: 314.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000872 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc1nccnc12
(2)InChI: InChI=1/C7H4ClN3/c8-7-6-5(1-2-11-7)9-3-4-10-6/h1-4H
(3)InChIKey: NUBUQZAPGNANJA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H4ClN3/c8-7-6-5(1-2-11-7)9-3-4-10-6/h1-4H
(5)Std. InChIKey: NUBUQZAPGNANJA-UHFFFAOYSA-N

Product Name

5-CHLOROPYRIDO[4,3-B]PYRAZINE

Pyrido[3,4-b]pyrazine,5-chloro- Specification

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