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52761-08-7

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Basic Information
CAS No.: 52761-08-7
Name: 3-hydroxymethylpyridinium chloride
Molecular Structure:
Molecular Structure of 52761-08-7 (3-hydroxymethylpyridinium chloride)
Formula: C6H8ClNO
Molecular Weight: 145.589
Synonyms: 3-(Hydroxymethyl)pyridinium chloride;
EINECS: 258-156-2
Boiling Point: 266 °C at 760 mmHg
Flash Point: 97.5 °C
PSA: 33.12000
LogP: 1.37590
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    3-Pyridinemethanol,hydrochloride (1:1)

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • 3-HYDROXYMETHYLPYRIDINIUM CHLORIDE

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    3-HYDROXYMETHYLPYRIDINIUM CHLORIDE

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    3-HYDROXYMETHYLPYRIDINIUM CHLORIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 3-Pyridinemethanol,hydrochloride (1:1)

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    3-Pyridinemethanol,hydrochloride (1:1)

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    3-hidroksimetilpiridinio chloridas C6H7NO.ClH.

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Specification

The 3-Pyridinemethanol,hydrochloride (1:1), with the CAS registry number 52761-08-7, is also known as 3-(Hydroxymethyl)pyridinium chloride. Its EINECS registry number is 258-156-2. This chemical's molecular formula is C6H8ClNO and molecular weight is 145.5868. What's more, its systematic name is called Pyridin-3-ylmethanol hydrochloride.

Physical properties about 3-Pyridinemethanol,hydrochloride (1:1) are: (1)ACD/LogP: -0.46; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.22; (8)ACD/KOC (pH 7.4): 13.4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Flash Point: 97.5 °C; (14)Enthalpy of Vaporization: 53.24 kJ/mol; (15)Boiling Point: 266 °C at 760 mmHg; (16)Vapour Pressure: 0.00442 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.OCc1cccnc1
(2) InChI: InChI=1/C6H7NO.ClH/c8-5-6-2-1-3-7-4-6;/h1-4,8H,5H2;1H
(3) InChIKey: BPNQTQDUQIZJOW-UHFFFAOYAI