4-Pyrimidinamine,5-bromo-2-chloro-N,N-dimethyl- supplier

Name
5-Bromo-2-chloro-4-(dimethylamino)pyrimidine
EINECS
CAS No. 57054-86-1
Article Data3
CAS DataBase
Density 1.665 g/cm³
Solubility
Melting Point
Formula C₆H₇BrClN₃
Boiling Point 332.957 °C at 760 mmHg
Molecular Weight 236.49688
Flash Point 155.167 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms (5-Bromo-2-chloropyrimidin-4-yl)dimethylamine;
PSA 29.02000
LogP 1.95850

4-Pyrimidinamine,5-bromo-2-chloro-N,N-dimethyl- Specification

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 C₆H₇BrClN₃and 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

Product Name

5-Bromo-2-chloro-4-(dimethylamino)pyrimidine

4-Pyrimidinamine,5-bromo-2-chloro-N,N-dimethyl- Specification

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