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4-Chloro-5-methylpyrimidine

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Name

4-Chloro-5-methylpyrimidine

EINECS N/A
CAS No. 51957-32-5 Density 1.234 g/cm3
PSA 25.78000 LogP 1.43840
Solubility N/A Melting Point N/A
Formula C5H5ClN2 Boiling Point 195.2 °C at 760 mmHg
Molecular Weight 128.561 Flash Point 89.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51957-32-5 (4-Chloro-5-methylpyrimidine) Hazard Symbols N/A
Synonyms

4-CHLORO-5-METHYLPYRIMIDINE;Pyrimidine, 4-chloro-5-methyl- (6CI,9CI)

 

4-Chloro-5-methylpyrimidine Specification

This chemical has the IUPAC name 4-chloro-5-methylpyrimidine. With the CAS registry number 51957-32-5, it's also mamed as pyrimidine, 4-chloro-5-methyl-. Its molecular formula is C5H5ClN2 and its molecular weight is 128.56. Additionally, its product category is Pyrimidine. 

Other characteristics of the 4-Chloro-5-methylpyrimidine can be summarised as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 76.38; (8)ACD/KOC (pH 7.4): 76.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 32.15 cm3; (15)Molar Volume: 104.1 cm3; (16)Polarizability: 12.74×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 89.6 °C; (20)Enthalpy of Vaporization: 41.38 kJ/mol; (21)Boiling Point: 195.2 °C at 760 mmHg; (22)Vapour Pressure: 0.595 mmHg at 25°C.

Uses of the 4-Chloro-5-methylpyrimidine: It could react with to 2',5-dichloro-2-iodobenzophenone obtain the 2-chloro-fluoren-9-one, 5,5'-dimethyl-[4,4']bipyrimidinyl, 2',5-Dichloro-2-(5-methyl-4-pyrimidinyl)benzophenone, (2-chloro-phenyl)-[4,4'-dichloro-2'-(2-chloro-benzoyl)-biphenyl-2-yl]-methanone. This reaction needs the reagent of Ni(COD)2, and the solvent of dimethylformamide. The yield is 27.8 %. In addition, this reaction should be taken for 48 hours at the temperature of 40 °C.

the 4-Chloro-5-methylpyrimidine could react with to 2',5-dichloro-2-iodobenzophenone 2-chloro-fluoren-9-one and 2',5-Dichloro-2-(5-methyl-4-pyrimidinyl)benzophenone(2-chloro-phenyl)-[4,4'-dichloro-2'-(2-chloro-benzoyl)-biphenyl-2-yl]-methanone and 5,5'-dimethyl-[4,4']bipyrimidinyl

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ncncc1C
2.InChI: InChI=1/C5H5ClN2/c1-4-2-7-3-8-5(4)6/h2-3H,1H3
3.InChIKey: RPDVPWWBNQKLAS-UHFFFAOYAZ

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