CAS No.3029-64-9,2,4,6-TRICHLORO-5-CYANOPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3029-64-9
Name:	2,4,6-TRICHLORO-5-CYANOPYRIMIDINE
Article Data:	9

Formula:	C₅Cl₃N₃
Molecular Weight:	208.434
Synonyms:	2,4,6-Trichloro-5-cyanopyrimidine;5-cyano-2,4,6-trichloropyrimidine;2,3-DIHYDROBENZOFURAN-5-CARBOXYLIC ACID;2,4,6-trichloro-5-cyano-pyrimidine;trichloropyrimidine-5-carbonitrile;2,4,6-trichloro-5-pyrimidinecarbonitrile;2,4,6-Trichloropyrimidine-5-carbonitrile;2,4,6-trichloro-pyrimidine-5-carbonitrile;
Density:	1.74 g/cm³
Melting Point:	122-124℃
Boiling Point:	320.8 °C at 760 mmHg
Flash Point:	147.8 °C
PSA:	49.57000
LogP:	2.30848

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Specification

The CAS registry number of 5-Pyrimidinecarbonitrile,2,4,6-trichloro- is 3029-64-9. It belongs to the product category of Pharmacetical. This chemical is also known as 2,4,6-Trichloro-5-cyanopyrimidine. The molecular formula of it is C₅Cl₃N₃ and molecular weight is 208.43. Its systematic name is called 2,4,6-trichloropyrimidine-5-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.609; (7)Molar Refractivity: 41.39 cm³; (8)Molar Volume: 119.4 cm³; (9)Surface Tension: 78.4 dyne/cm; (10)Density: 1.74 g/cm³; (11)Flash Point: 147.8 °C; (12)Enthalpy of Vaporization: 56.25 kJ/mol; (13)Boiling Point: 320.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)nc(Cl)c1C#N
(2)InChI: InChI=1/C5Cl3N3/c6-3-2(1-9)4(7)11-5(8)10-3
(3)InChIKey: IAJCAZVXGKGAQK-UHFFFAOYAL