5-Chloro-2-pyrimidinecarbonitrile supplier

Name
2-Pyrimidinecarbonitrile, 5-chloro- (9CI)
EINECS
CAS No. 38275-56-8
Article Data5
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 78 °C
Formula C₅H₂ClN₃
Boiling Point 292 °C at 760 mmHg
Molecular Weight 139.54
Flash Point 130.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyano-5-chloropyrimidine;
PSA 49.57000
LogP 1.00168

5-Chloro-2-pyrimidinecarbonitrile Specification

The 2-Pyrimidinecarbonitrile,5-chloro-, with CAS registry number 38275-56-8, belongs to the following product category: Pyrimidine. It has the systematic name of 5-chloropyrimidine-2-carbonitrile. Besides this, it is also called 5-Chloropyrimidine-2-carbonitrile,purity:97% min(HPLC). And the chemical formula of this chemical is C₅H₂ClN₃.

Physical properties of 2-Pyrimidinecarbonitrile,5-chloro-: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.57 Å²; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 31.74 cm³; (9)Molar Volume: 97 cm³; (10)Polarizability: 12.58×10^-24cm³; (11)Surface Tension: 70.6 dyne/cm; (12)Density: 1.43 g/cm³; (13)Flash Point: 130.4 °C; (14)Enthalpy of Vaporization: 53.14 kJ/mol; (15)Boiling Point: 292 °C at 760 mmHg; (16)Vapour Pressure: 0.00189 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(C#N)nc1
(2)InChI: InChI=1/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(3)InChIKey: XCZYVEHAGNDPGY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(5)Std. InChIKey: XCZYVEHAGNDPGY-UHFFFAOYSA-N

Product Name

2-Pyrimidinecarbonitrile, 5-chloro- (9CI)

5-Chloro-2-pyrimidinecarbonitrile Specification

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