Pyrimidine,2-chloro-5-phenyl- supplier

Name
2-CHLORO-5-PHENYL-PYRIMIDINE
EINECS 200-589-5
CAS No. 22536-62-5
Article Data13
CAS DataBase
Density 1.245g/cm³
Solubility
Melting Point 131-133 °C
Formula C₁₀H₇ClN₂
Boiling Point 369.9 °C at 760 mmHg
Molecular Weight 190.632
Flash Point 209.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-phenylpyrimidine;
PSA 25.78000
LogP 2.79700

Pyrimidine,2-chloro-5-phenyl- Specification

The Pyrimidine,2-chloro-5-phenyl-, with CAS registry number 22536-62-5, belongs to the following product category: Pharmacetical. It has the systematic name of 2-chloro-5-phenylpyrimidine. Besides this, it is also called 2-Chloro-5-phenyl-pyridimine. And the chemical formula of this chemical is C₁₀H₇ClN₂.

Physical properties of Pyrimidine,2-chloro-5-phenyl-: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.95; (6)ACD/BCF (pH 7.4): 23.95; (7)ACD/KOC (pH 5.5): 337.96; (8)ACD/KOC (pH 7.4): 337.96; (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: 1.593; (14)Molar Refractivity: 51.92 cm³; (15)Molar Volume: 153.1 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 209.1 °C; (20)Enthalpy of Vaporization: 59.25 kJ/mol; (21)Boiling Point: 369.9 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncc(c1ccccc1)cn2
(2)InChI: InChI=1/C10H7ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: JJNIWMPNOFGQEA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H7ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: JJNIWMPNOFGQEA-UHFFFAOYSA-N

Product Name

2-CHLORO-5-PHENYL-PYRIMIDINE

Pyrimidine,2-chloro-5-phenyl- Specification

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