Basic Information | Post buying leads | Suppliers |
Name |
3-Chloropyrazine-2-carbaldehyde |
EINECS | N/A |
CAS No. | 121246-96-6 | Density | 1.432 g/cm3 |
PSA | 42.85000 | LogP | 0.94250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H3ClN2O | Boiling Point | 214.3 °C at 760 mmHg |
Molecular Weight | 142.545 | Flash Point | 83.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazinecarboxaldehyde,3-chloro- (9CI);3-Chloro-2-pyrazinecarboxaldehyde; |
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