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Pyridine,2-(2-chloroethyl)-, hydrochloride (1:1)

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Name

Pyridine,2-(2-chloroethyl)-, hydrochloride (1:1)

EINECS N/A
CAS No. 4226-37-3 Density N/A
PSA 12.89000 LogP 2.66490
Solubility N/A Melting Point N/A
Formula C7H9Cl2N Boiling Point 209.4 °C at 760 mmHg
Molecular Weight 178.0591 Flash Point 100 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4226-37-3 (2-(2-Chloroethyl)pyridine hydrochloride) Hazard Symbols N/A
Synonyms

Pyridine,2-(2-chloroethyl)-, hydrochloride (7CI,8CI,9CI);2-(2-Chloroethyl)pyridinehydrochloride;

Article Data 3

Pyridine,2-(2-chloroethyl)-, hydrochloride (1:1) Specification

The Pyridine, 2-(2-chloroethyl)-, hydrochloride (1:1), with the CAS registry number of 4226-37-3, is also known as 2-(2-Chloroethyl)pyridine hydrochloride (1:1). This chemical's molecular formula is C7H9Cl2N and molecular weight is 178.0591. What's more, its IUPAC name is 2-(2-Chloroethyl)pyridine hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Pyridine, 2-(2-chloroethyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.89 Å2; (7)Flash Point: 100 °C; (8)Enthalpy of Vaporization: 42.74 kJ/mol; (9)Boiling Point: 209.4 °C at 760 mmHg; (10)Vapour Pressure: 0.294 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCc1ncccc1.Cl
(2) InChI: InChI=1/C7H8ClN.ClH/c8-5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5H2;1H
(3) InChIKey: UCZKIFBRVWUSTF-UHFFFAOYAC

The toxicity data of Pyridine, 2-(2-chloroethyl)-, hydrochloride (1:1) is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Acta Pharmaceutica Suecica. Vol. 4, Pg. 269, 1967.
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 25, 1949.

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