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CAS No.: | 936643-80-0 |
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Name: | 2-(CHLOROMETHYL)PYRIMIDINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C5H5ClN2.HCl |
Molecular Weight: | 165.022 |
Synonyms: | 2-(Chloromethyl)pyrimidine hydrochloride (1:1); |
EINECS: | -0 |
Boiling Point: | 211.9 °C at 760 mmHg |
Flash Point: | 82 °C |
PSA: | 25.78000 |
LogP: | 2.01740 |
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The 2-(Chloromethyl)pyrimidine hydrochloride, with the CAS registry number 936643-80-0, is also known as Pyrimidine, 2-(chloromethyl)-, hydrochloride (1:1). This chemical's molecular formula is C5H5ClN2.HCl and molecular weight is 165.02. What's more, its systematic name is 2-(Chloromethyl)pyrimidine hydrochloride (1:1).
Physical properties of 2-(Chloromethyl)pyrimidine hydrochloride are: (1)ACD/LogP: 0.182; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Flash Point: 82 °C; (8)Enthalpy of Vaporization: 45.74 kJ/mol; (9)Boiling Point: 211.9 °C at 760 mmHg; (10)Vapour Pressure: 0.148 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.ClCc1ncccn1
(2)Std. InChI: InChI=1S/C5H5ClN2.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H,4H2;1H
(3)Std. InChIKey: XLGVMJXAZRCTRU-UHFFFAOYSA-N