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CAS No.: | 56181-39-6 |
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Name: | 4-Chloro-5-Bromopyrimidine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H2BrClN2 |
Molecular Weight: | 193.43 |
Synonyms: | 4-Chloro-5-bromopyrimidine;5-Bromo-4-chloropyrimidine;pyrimidine, 5-bromo-4-chloro-;4-Chloro-5-bromopyrimidine;Chlorobromopyrimidine; |
Density: | 1.86 g/cm3 |
Boiling Point: | 250.662 °C at 760 mmHg |
Flash Point: | 105.397 °C |
PSA: | 25.78000 |
LogP: | 1.89250 |
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The 4-Chloro-5-Bromopyrimidine, with the CAS registry number 56181-39-6, has the systematic name of 5-bromo-4-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 Phosphorodiamidouschloride, N,N,N',N'-tetrakis(1-methylethyl)- are as followings: (1)ACD/LogP: 0.99; (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): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 133; (8)ACD/KOC (pH 7.4): 133; (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: 105.397 °C; (20)Enthalpy of Vaporization: 46.82 kJ/mol; (21)Boiling Point: 250.662 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ncncc1Br
(2)InChI: InChI=1/C4H2BrClN2/c5-3-1-7-2-8-4(3)6/h1-2H
(3)InChIKey: WTVLUSWQWGHYIS-UHFFFAOYAX