Pyrimidine,5-bromo-2-chloro-4-(1-piperidinyl)- supplier

Name
5-BROMO-2-CHLORO-4-(1-PIPERIDINYL)PYRIMIDINE
EINECS
CAS No. 62880-67-5
Article Data2
CAS DataBase
Density 1.569 g/cm³
Solubility
Melting Point
Formula C₉H₁₁BrClN₃
Boiling Point 406.443 °C at 760 mmHg
Molecular Weight 276.563
Flash Point 199.61 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2-chloro-4-(piperidin-1-yl)pyrimidine;
PSA 29.02000
LogP 2.94780

Pyrimidine,5-bromo-2-chloro-4-(1-piperidinyl)- Specification

The Pyrimidine, 5-bromo-2-chloro-4-(1-piperidinyl)-, with the CAS registry number of 62880-67-5, is also known as 5-Bromo-2-chloro-4-(piperidin-1-yl)pyrimidine. This chemical's molecular formula is C₉H₁₁BrClN₃ and molecular weight is 276.56074. What's more, its IUPAC name is 5-Bromo-2-chloro-4-piperidin-1-ylpyrimidine.

Physical properties about are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.452; (4)ACD/LogD (pH 7.4): 2.454; (5)ACD/BCF (pH 5.5): 42.925; (6)ACD/BCF (pH 7.4): 43.169; (7)ACD/KOC (pH 5.5): 512.391; (8)ACD/KOC (pH 7.4): 515.303; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 59.837 cm³; (15)Molar Volume: 176.284 cm³; (16)Polarizability: 23.721×10^-24 cm³; (17)Surface Tension: 55.007 dyne/cm; (18)Density: 1.569 g/cm³; (19)Flash Point: 199.61 °C; (20)Enthalpy of Vaporization: 65.818 kJ/mol; (21)Boiling Point: 406.443 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(nc(n1)Cl)N2CCCCC2)Br
(2) InChI: InChI=1/C9H11BrClN3/c10-7-6-12-9(11)13-8(7)14-4-2-1-3-5-14/h6H,1-5H2
(3) InChIKey: DRBOKBVIEFICHN-UHFFFAOYAP

Product Name

5-BROMO-2-CHLORO-4-(1-PIPERIDINYL)PYRIMIDINE

Pyrimidine,5-bromo-2-chloro-4-(1-piperidinyl)- Specification

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