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4-Chloro-5-ethylpyrimidine

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Name

4-Chloro-5-ethylpyrimidine

EINECS N/A
CAS No. 54128-01-7 Density 1.182 g/cm3
PSA 25.78000 LogP 1.69240
Solubility N/A Melting Point N/A
Formula C6H7ClN2 Boiling Point 207.886 °C at 760 mmHg
Molecular Weight 142.588 Flash Point 98.939 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54128-01-7 (4-Chloro-5-ethylpyrimidine) Hazard Symbols N/A
Synonyms

4-chloro-5-ethyl-pyrimidine;4-Chlor-5-ethylpyrimidin;pyrimidine, 4-chloro-5-ethyl-;

Article Data 3

4-Chloro-5-ethylpyrimidine 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

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