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54128-01-7

Basic Information
CAS No.: 54128-01-7
Name: 4-Chloro-5-ethylpyrimidine
Article Data: 3
Molecular Structure:
Molecular Structure of 54128-01-7 (4-Chloro-5-ethylpyrimidine)
Formula: C6H7ClN2
Molecular Weight: 142.588
Synonyms: 4-chloro-5-ethyl-pyrimidine;4-Chlor-5-ethylpyrimidin;pyrimidine, 4-chloro-5-ethyl-;
Density: 1.182 g/cm3
Boiling Point: 207.886 °C at 760 mmHg
Flash Point: 98.939 °C
PSA: 25.78000
LogP: 1.69240
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    Molecular Formula: C6H7ClN2 Molecular Weight: 142.59Appearance:colorless liquid

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Specification

The 4-Chloro-5-ethylpyrimidine, with the cas registry number 54128-01-7, has the systematic name and IUPAC name of 4-chloro-5-ethylpyrimidine. It belongs to the product category of Pyrimidine. And the molecular formula of the chemical is C6H7ClN2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.305; (6)ACD/BCF (pH 7.4): 2.305; (7)ACD/KOC (pH 5.5): 63.27; (8)ACD/KOC (pH 7.4): 63.271; (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: 1.523; (14)Molar Refractivity: 36.88 cm3; (15)Molar Volume: 120.649 cm3; (16)Polarizability: 14.62×10-24cm3; (17)Surface Tension: 42.492 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 98.939 °C; (20)Enthalpy of Vaporization: 42.602 kJ/mol; (21)Boiling Point: 207.886 °C at 760 mmHg; (22)Vapour Pressure: 0.317 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCc1cncnc1Cl
(2)InChI: InChI=1/C6H7ClN2/c1-2-5-3-8-4-9-6(5)7/h3-4H,2H2,1H3
(3)InChIKey: ZZMJUBGNHBJUAM-UHFFFAOYAZ