CAS No.37131-91-2,6-Chloro-4-pyrimidinecarboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37131-91-2
Name:	6-Chloro-4-pyrimidinecarboxylic acid
Article Data:	3

Formula:	C₅H₃ClN₂O₂
Molecular Weight:	158.544
Synonyms:	6-Chloro-4-pyrimidinecarboxylicacid;
EINECS:	1312995-182-4
Density:	1.579 g/cm³
Boiling Point:	343.69 °C at 760 mmHg
Flash Point:	161.658 °C
PSA:	63.08000
LogP:	0.82820

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Specification

The 4-Pyrimidinecarboxylicacid, 6-chloro- is an organic compound with the formula C₅H₃ClN₂O₂. The systematic name of this chemical is 6-chloropyrimidine-4-carboxylic acid. With the CAS registry number 37131-91-2, it is also named as 6-Chloro-4-pyrimidinecarboxylic acid. The product's category is Pharmacetical.

Physical properties about 4-Pyrimidinecarboxylicacid, 6-chloro- are: (1)ACD/LogP: 0.44; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.08 Å²; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 34.26 cm³; (12)Molar Volume: 100.361 cm³; (13)Polarizability: 13.582×10^-24cm³; (14)Surface Tension: 73.208 dyne/cm; (15)Density: 1.58 g/cm³; (16)Flash Point: 161.658 °C; (17)Enthalpy of Vaporization: 62.012 kJ/mol; (18)Boiling Point: 343.69 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ncn1)C(=O)O
(2)InChI: InChI=1/C5H3ClN2O2/c6-4-1-3(5(9)10)7-2-8-4/h1-2H,(H,9,10)
(3)InChIKey: RWSPRTBXAXZIOS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H3ClN2O2/c6-4-1-3(5(9)10)7-2-8-4/h1-2H,(H,9,10)
(5)Std. InChIKey: RWSPRTBXAXZIOS-UHFFFAOYSA-N