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CAS No.: | 6559-47-3 |
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Name: | 2-(Chloromethyl)pyridine Hydrochloride |
Molecular Structure: | |
Formula: | C6H7Cl2N |
Molecular Weight: | 164.0325 |
Boiling Point: | 187.3 °C at 760 mmHg |
Flash Point: | 83.7 °C |
PSA: | 12.89000 |
LogP: | 2.62240 |
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This chemical is called 2-(Chloromethyl)pyridine Hydrochloride(1:1), and it's also named as 2-(Chloromethyl)pyridine HCl. With the molecular formula of C6H7Cl2N, its molecular weight is 164.0325. The CAS registry number of this chemical is 6559-47-3. Additionally, its product category is Heterocycles
Other characteristics of the 2-(Chloromethyl)pyridine Hydrochloride(1:1) can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.3; (6)ACD/BCF (pH 7.4): 3.36; (7)ACD/KOC (pH 5.5): 81.34; (8)ACD/KOC (pH 7.4): 82.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Flash Point: 83.7 °C; (14)Enthalpy of Vaporization: 40.62 kJ/mol; (15)Boiling Point: 187.3 °C at 760 mmHg; (16)Vapour Pressure: 0.873 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES:Cl.ClCc1ncccc1
2.InChI: InChI=1/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
3.InChIKey: JPMRGPPMXHGKRO-UHFFFAOYAD