CAS No.136866-27-8,3,5-Dichloropyrazine-2-carbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	136866-27-8
Name:	3,5-Dichloropyrazine-2-carbaldehyde
Article Data:	6

Formula:	C₅H₂Cl₂N₂O
Molecular Weight:	176.99
Synonyms:	Pyrazinecarboxaldehyde, 3,5-dichloro- (9CI);
Density:	1.588 g/cm³
Boiling Point:	240.75 °C at 760 mmHg
Flash Point:	99.403 °C
PSA:	42.85000
LogP:	1.59590

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Specification

The 2-Pyrazinecarboxaldehyde,3,5-dichloro- is an organic compound with the formula C₅H₂Cl₂N₂O. The IUPAC name of this chemical is 3,5-dichloropyrazine-2-carbaldehyde. With the CAS registry number 136866-27-8, it is also named as 3,5-Dichloro-2-formylpyrazine.

Physical properties about 2-Pyrazinecarboxaldehyde,3,5-dichloro- are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 113; (7)ACD/KOC (pH 7.4): 113; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å²; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 38.978 cm³; (13)Molar Volume: 111.448 cm³; (14)Polarizability: 15.452×10^-24cm³; (15)Surface Tension: 61.71 dyne/cm; (16)Density: 1.588 g/cm³; (17)Flash Point: 99.403 °C; (18)Enthalpy of Vaporization: 47.768 kJ/mol; (19)Boiling Point: 240.75 °C at 760 mmHg; (20)Vapour Pressure: 0.037 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(c(n1)C=O)Cl)Cl
(2)InChI: InChI=1/C5H2Cl2N2O/c6-4-1-8-3(2-10)5(7)9-4/h1-2H
(3)InChIKey: MFMMFTVFMSLGAM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H2Cl2N2O/c6-4-1-8-3(2-10)5(7)9-4/h1-2H
(5)Std. InChIKey: MFMMFTVFMSLGAM-UHFFFAOYSA-N