Name: 4-chloropyrimidine-2-carbaldehyde
SKU: 944902-13-0

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Basic Information

Molecular Structure:
CAS No.:	944902-13-0
Name:	4-chloropyrimidine-2-carbaldehyde

Formula:	C₅H₃ClN₂O
Molecular Weight:	142.545
Synonyms:	2-Pyrimidinecarboxaldehyde,4-chloro;4-Chloro-2-pyrimidinecarbaldehyde;4-Chloropyrimidine-2-carboxaldehyde;4-Chloro-2-pyrimidinecarboxaldehyde;QC-308;
Density:	1.433 g/cm³
Boiling Point:	307.606 °C at 760 mmHg
Flash Point:	139.835 °C
PSA:	42.85000
LogP:	0.94250

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Specification

The 2-Pyrimidinecarboxaldehyde,4-chloro- is an organic compound with the formula C₅H₃ClN₂O. With the CAS registry number 944902-13-0, the systematic name of this chemical is 4-chloropyrimidine-2-carbaldehyde.

Physical properties about 2-Pyrimidinecarboxaldehyde,4-chloro- are: (1)ACD/LogP: 0.74; (2)ACD/LogD (pH 5.5): 0.738; (3)ACD/LogD (pH 7.4): 0.738; (4)ACD/BCF (pH 5.5): 2.144; (5)ACD/BCF (pH 7.4): 2.144; (6)ACD/KOC (pH 5.5): 60.07; (7)ACD/KOC (pH 7.4): 60.07; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å²; (11)Index of Refraction: 1.601; (12)Molar Refractivity: 34.083 cm³; (13)Molar Volume: 99.498 cm³; (14)Polarizability: 13.512×10^-24cm³; (15)Surface Tension: 59.636 dyne/cm; (16)Density: 1.433 g/cm³; (17)Flash Point: 139.835 °C; (18)Enthalpy of Vaporization: 52.633 kJ/mol; (19)Boiling Point: 307.606 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(nc1Cl)C=O
(2)InChI: InChI=1/C5H3ClN2O/c6-4-1-2-7-5(3-9)8-4/h1-3H
(3)InChIKey: SMUCDOCTYSKXDR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H3ClN2O/c6-4-1-2-7-5(3-9)8-4/h1-3H
(5)Std. InChIKey: SMUCDOCTYSKXDR-UHFFFAOYSA-N