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6-(1-Bromo-ethyl)-4-chloro-5-fluoropyrimidine

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Name

6-(1-Bromo-ethyl)-4-chloro-5-fluoropyrimidine

EINECS N/A
CAS No. 188416-30-0 Density 1.817 g/cm3
PSA 25.78000 LogP 3.37840
Solubility N/A Melting Point N/A
Formula C6H4BrCl2FN2 Boiling Point 292.258 °C at 760 mmHg
Molecular Weight 273.92 Flash Point 130.553 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 188416-30-0 (6-(1-Bromo-ethyl)-4-chloro-5-fluoropyrimidine) Hazard Symbols N/A
Synonyms

Pyrimidine, 4-(1-bromoethyl)-2,6-dichloro-5-fluoro-;

Article Data 2

6-(1-Bromo-ethyl)-4-chloro-5-fluoropyrimidine Specification

The CAS registry number of 6-(1-Bromo-ethyl)-4-chloro-5-fluoropyrimidine is 188416-30-0. This chemical is also known as Pyrimidine, 4-(1-bromoethyl)-2,6-dichloro-5-fluoro-. The molecular formula of it is C6H4BrCl2FN2 and molecular weight is 273.9178. Its systematic name is called 4-(1-bromoethyl)-2,6-dichloro-5-fluoropyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 460; (8)ACD/KOC (pH 7.4): 460; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 49.503 cm3; (14)Molar Volume: 150.739 cm3; (15)Surface Tension: 50.495 dyne/cm; (16)Density: 1.817 g/cm3; (17)Flash Point: 130.553 °C; (18)Enthalpy of Vaporization: 51.044 kJ/mol; (19)Boiling Point: 292.258 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(Br)c1nc(Cl)nc(Cl)c1F
(2)InChI: InChI=1/C6H4BrCl2FN2/c1-2(7)4-3(10)5(8)12-6(9)11-4/h2H,1H3
(3)InChIKey: AZJXRKANGIKJQD-UHFFFAOYAI

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