CAS No.124405-67-0,Pyrimidine, 2-bromo-5-chloro- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	124405-67-0
Name:	Pyrimidine, 2-bromo-5-chloro-

Formula:	C₄H₂BrClN₂
Molecular Weight:	193.43
Synonyms:	5-Chloro-2-bromopyrimidine;
Density:	1.86 g/cm³
Boiling Point:	291.171 °C at 760 mmHg
Flash Point:	129.896 °C
PSA:	25.78000
LogP:	1.89250

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Specification

The Pyrimidine,2-bromo-5-chloro-, with the CAS registry number 124405-67-0, has the systematic name of 2-bromo-5-chloropyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₄H₂BrClN₂.

The characteristics of Pyrimidine,2-bromo-5-chloro- are as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 94; (8)ACD/KOC (pH 7.4): 94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 35.021 cm³; (15)Molar Volume: 104.016 cm³; (16)Polarizability: 13.883×10^-24cm³; (17)Surface Tension: 53.974 dyne/cm; (18)Density: 1.86 g/cm³; (19)Flash Point: 129.896 °C; (20)Enthalpy of Vaporization: 50.932 kJ/mol; (21)Boiling Point: 291.171 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cnc(Br)nc1
(2)InChI: InChI=1/C4H2BrClN2/c5-4-7-1-3(6)2-8-4/h1-2H
(3)InChIKey: QZOXTQMVQQUSCA-UHFFFAOYAR