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84473-64-3

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Basic Information
CAS No.: 84473-64-3
Name: pyrazinecarbonyl chloride monohydrochloride
Molecular Structure:
Molecular Structure of 84473-64-3 (pyrazinecarbonyl chloride monohydrochloride)
Formula: C5H4Cl2N2O
Molecular Weight: 179.006
Synonyms: Pyrazinecarbonylchloride, monohydrochloride (9CI);pyrazine-2-carbonyl chloride hydrochloride;
EINECS: 282-918-3
Boiling Point: 214.5 °C at 760 mmHg
Flash Point: 83.5 °C
PSA: 42.85000
LogP: 1.65760
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  • 2-Pyrazinecarbonylchloride, hydrochloride (1:1)

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    2-Pyrazinecarbonylchloride, hydrochloride (1:1)

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  • 2-Pyrazinecarbonylchloride, hydrochloride (1:1)

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    2-Pyrazinecarbonylchloride, hydrochloride (1:1)

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Specification

The 2-Pyrazinecarbonylchloride, hydrochloride (1:1), with the CAS registry number 84473-64-3 and EINECS registry number 282-918-3, has the systematic name of pyrazine-2-carbonyl chloride hydrochloride. And the molecular formula of this chemical is C5H4Cl2N2O.

The physical properties of 2-Pyrazinecarbonylchloride, hydrochloride (1:1) are as following: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.61; (8)ACD/KOC (pH 7.4): 16.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å2; (13)Flash Point: 83.5 °C; (14)Enthalpy of Vaporization: 45.08 kJ/mol; (15)Boiling Point: 214.5 °C at 760 mmHg; (16)Vapour Pressure: 0.155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1nccnc1.Cl
(2)InChI: InChI=1/C5H3ClN2O.ClH/c6-5(9)4-3-7-1-2-8-4;/h1-3H;1H
(3)InChIKey: ZOFWDSYSIJNFMU-UHFFFAOYAN