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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:
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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

145467-VAR:
145467-BULK:
145467-10G:
145467-50G:

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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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