CAS No.3099-30-7,6-chloromethyl-2-methylpyridinium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3099-30-7
Name:	6-chloromethyl-2-methylpyridinium chloride
Article Data:	9

Formula:	C₇H₉Cl₂N
Molecular Weight:	178.061
Synonyms:	Pyridine,2-(chloromethyl)-6-methyl-, hydrochloride (6CI,7CI,8CI,9CI);6-Chloromethyl-2-methylpyridine hydrochloride;
EINECS:	221-451-1
Melting Point:	146-153 °C(Solv: acetone (67-64-1))
Boiling Point:	196.1 °C at 760 mmHg
Flash Point:	90.2 °C
PSA:	12.89000
LogP:	2.93080

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Specification

The CAS register number of Pyridine,2-(chloromethyl)-6-methyl-, hydrochloride (1:1) is 3099-30-7. It also can be called as 6-Chloromethyl-2-methylpyridinium chloride and the IUPAC name about this chemical is 2-(chloromethyl)-6-methylpyridine hydrochloride. The molecular formula about this chemical is C₇H₉Cl₂N and the molecular weight is 178.05906. Classification code about this chemical is Drug / Therapeutic Agent.

Physical properties about Pyridine,2-(chloromethyl)-6-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 6.92; (5)ACD/BCF (pH 7.4): 7.5; (6)ACD/KOC (pH 5.5): 135.78; (7)ACD/KOC (pH 7.4): 147.21; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.89Å²; (11)Flash Point: 90.2 °C; (12)Enthalpy of Vaporization: 41.46 kJ/mol; (13)Boiling Point: 196.1 °C at 760 mmHg; (14)Vapour Pressure: 0.57 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc(ccc1)C.Cl
(2)InChI: InChI=1/C7H8ClN.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H
(3)InChIKey: QFLPSIUFCCCRMI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H8ClN.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H
(5)Std. InChIKey: QFLPSIUFCCCRMI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		Acta Pharmaceutica Suecica. Vol. 4, Pg. 269, 1967.