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CAS No.: | 57054-86-1 |
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Name: | 5-Bromo-2-chloro-4-(dimethylamino)pyrimidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H7BrClN3 |
Molecular Weight: | 236.49688 |
Synonyms: | (5-Bromo-2-chloropyrimidin-4-yl)dimethylamine; |
Density: | 1.665 g/cm3 |
Boiling Point: | 332.957 °C at 760 mmHg |
Flash Point: | 155.167 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 29.02000 |
LogP: | 1.95850 |
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The CAS register number of 4-Pyrimidinamine,5-bromo-2-chloro-N,N-dimethyl- is 57054-86-1. It also can be called as 5-Bromo-2-chloro-4-(dimethylamino)pyrimidine and the IUPAC name about this chemical is 5-bromo-2-chloro-N,N-dimethylpyrimidin-4-amine. The molecular formula about this chemical is C6H7BrClN3 and the molecular weight is 236.49688. It belongs to the following product categories which include Organohalides; Pyrimidine and so on.
Physical properties about 4-Pyrimidinamine,5-bromo-2-chloro-N,N-dimethyl- are: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 10; (6)ACD/KOC (pH 5.5): 177; (7)ACD/KOC (pH 7.4): 177; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.02Å2; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 49.334 cm3; (13)Molar Volume: 142.008 cm3; (14)Polarizability: 19.558x10-24cm3; (15)Surface Tension: 53.443 dyne/cm; (16)Enthalpy of Vaporization: 57.577 kJ/mol; (17)Boiling Point: 332.957 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(N(C)C)c(Br)cn1
(2)InChI: InChI=1/C6H7BrClN3/c1-11(2)5-4(7)3-9-6(8)10-5/h3H,1-2H3
(3)InChIKey: JAYGQJGPTKZUKQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H7BrClN3/c1-11(2)5-4(7)3-9-6(8)10-5/h3H,1-2H3
(5)Std. InChIKey: JAYGQJGPTKZUKQ-UHFFFAOYSA-N