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Name |
Pyrimidine,4-(bromomethyl)-2-chloro- |
EINECS | N/A |
CAS No. | 181363-06-4 | Density | 1.768 g/cm3 |
PSA | 25.78000 | LogP | 2.02490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4BrClN2 | Boiling Point | 315.3 °C at 760 mmHg |
Molecular Weight | 207.457 | Flash Point | 144.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromomethyl-2-chloropyrimidine;4-(Bromomethyl)pyrimidine; |
Article Data | 4 |
The Pyrimidine,4-(bromomethyl)-2-chloro-, with the CAS registry number 181363-06-4, is also known as Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H4BrClN2 and molecular weight is 207.46. What's more, its systematic name is 4-(Bromomethyl)-2-chloropyrimidine.
Physical properties of Pyrimidine,4-(bromomethyl)-2-chloro- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.77; (6)ACD/BCF (pH 7.4): 3.77; (7)ACD/KOC (pH 5.5): 89.96; (8)ACD/KOC (pH 7.4): 89.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 39.97 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 15.84×10-24 cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.768 g/cm3; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 53.44 kJ/mol; (21)Boiling Point: 315.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000814 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccnc(Cl)n1
(2)InChI: InChI=1S/C5H4BrClN2/c6-3-4-1-2-8-5(7)9-4/h1-2H,3H2
(3)InChIKey: FONRFIJJNODTBH-UHFFFAOYSA-N