Name: Pyrimidine, 5-(chloromethyl)-2-methyl- (9CI)
SKU: 126504-86-7

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Basic Information

Molecular Structure:
CAS No.:	126504-86-7
Name:	Pyrimidine, 5-(chloromethyl)-2-methyl- (9CI)
Article Data:	1

Formula:	C₆H₇ClN₂
Molecular Weight:	142.588
Synonyms:	5-Chloromethyl-2-methylpyrimidine;
Density:	1.189 g/cm³
Boiling Point:	213.8 °C at 760 mmHg
Flash Point:	103.3 °C
PSA:	25.78000
LogP:	1.52380

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Specification

The Pyrimidine, 5-(chloromethyl)-2-methyl- has CAS registry number 126504-86-7. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₆H₇ClN₂ and molecular weight is 142.59. What's more, its systematic name is 5-(Chloromethyl)-2-methylpyrimidine.

Physical properties about Pyrimidine, 5-(chloromethyl)-2-methyl- are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.33; (8)ACD/KOC (pH 7.4): 31.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.02 cm³; (15)Molar Volume: 119.8 cm³; (16)Polarizability: 14.67×10^-24 cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 43.18 kJ/mol; (21)Boiling Point: 213.8 °C at 760 mmHg; (22)Vapour Pressure: 0.234 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1cnc(C)nc1
(2) InChI: InChI=1/C6H7ClN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3
(3) InChIKey: GHFAUTJRYNSYHR-UHFFFAOYAD