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| CAS No.: | 1007089-84-0 |
|---|---|
| Name: | 3-(Chloromethyl)-5-methylpyridine hydrochloride |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H8ClN |
| Molecular Weight: | 178.061 |
| Synonyms: | 3-Chloromethyl-5-methylpyridine Hydrochloride |
| Density: | 1.118 g/cm3 |
| Boiling Point: | 232.233 °C at 760 mmHg |
| Flash Point: | 116.576 °C |
| PSA: | 12.89000 |
| LogP: | 2.12880 |
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Specification
The 3-(Chloromethyl)-5-methylpyridine hydrochloride, with its CAS registry number 1007089-84-0, has the systematic name of 3-(chloromethyl)-5-methylpyridine. And it has the molecular formula of C7H8ClN. Besides, it is a kind of harmful chemical, so you should be careful while dealing with this chemical. In addition, this is a kind of irritant chemical which may cause inflammation to the skin or other mucous membranes, so you should be very careful while using.
The characteristics of 3-(Chloromethyl)-5-methylpyridine hydrochloride are as follows: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 38.935 cm3; (9)Molar Volume: 126.628 cm3; (10)Polarizability: 15.435×10-24cm3; (11)Surface Tension: 37.964 dyne/cm; (12)Density: 1.118 g/cm3; (13)Flash Point: 116.576 °C; (14)Enthalpy of Vaporization: 44.987 kJ/mol; (15)Boiling Point: 232.233 °C at 760 mmHg; (16)Vapour Pressure: 0.091 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:ClCc1cc(cnc1)C
(2)InChI:InChI=1/C7H8ClN/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,3H2,1H3
(3)InChIKey:DZZYVVUYEDSKBU-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C7H8ClN/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,3H2,1H3
(5)Std. InChIKey:DZZYVVUYEDSKBU-UHFFFAOYSA-N