Name: 3-CHLORO-PYRAZINE-2-CARBALDEHYDE
SKU: 121246-96-6

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Basic Information

Molecular Structure:
CAS No.:	121246-96-6
Name:	3-CHLORO-PYRAZINE-2-CARBALDEHYDE

Formula:	C₅H₃ClN₂O
Molecular Weight:	142.545
Synonyms:	Pyrazinecarboxaldehyde,3-chloro- (9CI);3-Chloro-2-pyrazinecarboxaldehyde;
Density:	1.432 g/cm³
Boiling Point:	214.3 °C at 760 mmHg
Flash Point:	83.4 °C
PSA:	42.85000
LogP:	0.94250

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Specification

The systematic name about this chemical is 3-chloropyrazine-2-carbaldehyde. The CAS register number of 3-Chloropyrazine-2-carbaldehyde is 121246-96-6. It also can be called as 2-pyrazinecarboxaldehyde, 3-chloro-. Its molecular formula is C₅H₃ClN₂O and molecular weight is 142.54.

Physical properties about 3-Chloropyrazine-2-carbaldehyde are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 2.68; (7)ACD/KOC (pH 5.5): 70.56; (8)ACD/KOC (pH 7.4): 70.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 34.08 cm³; (15)Molar Volume: 99.4 cm³; (16)Surface Tension: 59.6 dyne/cm; (17)Density: 1.432 g/cm³; (18)Flash Point: 83.4 °C; (19)Enthalpy of Vaporization: 45.06 kJ/mol; (20)Boiling Point: 214.3 °C at 760 mmHg; (21)Vapour Pressure: 0.157 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=Cc1nccnc1Cl
2.InChI: InChI=1/C5H3ClN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H
3.InChIKey: QRVSQUNWTBLLOC-UHFFFAOYAS
4.Std. InChI: InChI=1S/C5H3ClN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H