Pyrimidine,4-(bromomethyl)-2-chloro- supplier

Name
Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)
EINECS
CAS No. 181363-06-4
Article Data4
CAS DataBase
Density 1.768 g/cm³
Solubility
Melting Point
Formula C₅H₄BrClN₂
Boiling Point 315.3 °C at 760 mmHg
Molecular Weight 207.457
Flash Point 144.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromomethyl-2-chloropyrimidine;4-(Bromomethyl)pyrimidine;
PSA 25.78000
LogP 2.02490

Pyrimidine,4-(bromomethyl)-2-chloro- Specification

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^-24cm³; (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

Product Name

Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)

Pyrimidine,4-(bromomethyl)-2-chloro- Specification

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