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145467

Sigma-Aldrich

2-Chlorobenzyl alcohol

99%

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About This Item

Linear Formula:
ClC6H4CH2OH
CAS Number:
17849-38-6
Molecular Weight:
142.58
Beilstein/REAXYS Number:
2042182
EC Number:
241-801-7
MDL number:
MFCD00004604
UNSPSC Code:
12352100
PubChem Substance ID:
24848726
NACRES:
NA.22

assay

99%

form

solid

bp

227 °C (lit.)

mp

69-71 °C (lit.)

solubility

chloroform: soluble 25 mg/mL, clear, colorless

functional group

chloro
hydroxyl

SMILES string

OCc1ccccc1Cl

InChI

1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChI key

MBYQPPXEXWRMQC-UHFFFAOYSA-N

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General description

Major urinary metabolites of 2-chlorobenzyl alcohol in rats were 2-chlorohippuric acid, 2-chlorobenzyl cysteine, 2-chlorobenzoic acid and 2-chlorobenzyl glucuronic acid[1]. It is a possible intermediate formed during the metabolism of 2-chloromandelic acid[2].

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
STBG0738V
07501KW
07118MV
02820HV
01718KT

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K Brewster et al.
Xenobiotica; the fate of foreign compounds in biological systems, 17(8), 911-924 (1987-08-01)
1. The fate of 3H-ring labelled, 14C-cyanide labelled and (14C = C) side chain labelled 2-chlorobenzylidene malononitrile (CS), 2-chlorobenzyl alcohol and 2-chlorobenzyl malononitrile (dihydro CS) in rats and isolated rat liver cells has been examined. 2. CS was administered both
G S J Mannens et al.
Drug metabolism and disposition: the biological fate of chemicals, 35(4), 554-565 (2006-08-29)
RWJ-333369 (1,2-ethanediol, [1-2-chlorophenyl]-, 2-carbamate, [S]-; CAS Registry Number 194085-75-1) is a novel neuromodulator in clinical development for the treatment of epilepsy. To study the disposition of RWJ-333369, eight healthy male subjects received a single oral dose of 500 mg of

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