CAS No.3438-55-9,5-BROMO-4-CHLORO-6-METHYLPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3438-55-9
Name:	5-BROMO-4-CHLORO-6-METHYLPYRIMIDINE
Article Data:	4

Formula:	C₅H₄BrClN₂
Molecular Weight:	207.457
Synonyms:	5-Bromo-4-chloro-6-methylpyrimidine;
Density:	1.724 g/cm³
Melting Point:	55.0-55.5 °C
Boiling Point:	271.2 °C at 760 mmHg
Flash Point:	117.8 °C
PSA:	25.78000
LogP:	2.20090

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Specification

The Pyrimidine, 5-bromo-4-chloro-6-methyl- has the CAS registry number 3438-55-9. This chemical's molecular formula is C₅H₄BrClN₂ and molecular weight is 207.46. What's more, its systematic name is 5-bromo-4-chloro-6-methylpyrimidine.

Physical properties of Pyrimidine, 5-bromo-4-chloro-6-methyl- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/BCF (pH 5.5): 14.57; (5)ACD/KOC (pH 5.5): 236.82; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 25.78 Å²; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 39.84 cm³; (12)Molar Volume: 120.2 cm³; (13)Surface Tension: 49.8 dyne/cm; (14)Density: 1.724 g/cm³; (15)Flash Point: 117.8 °C; (16)Enthalpy of Vaporization: 48.89 kJ/mol; (17)Boiling Point: 271.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc(c1Br)C
(2)InChI: InChI=1S/C5H4BrClN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
(3)InChIKey: COSNNPGRFRGVPC-UHFFFAOYSA-N