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C28707

Sigma-Aldrich

4-Chlorobenzenemethanethiol

98%

Synonym(s):

4-Chlorobenzyl mercaptan

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About This Item

Linear Formula:
ClC6H4CH2SH
CAS Number:
6258-66-8
Molecular Weight:
158.65
EC Number:
228-395-7
MDL number:
MFCD00004870
UNSPSC Code:
12352100
PubChem Substance ID:
24892538
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.5893 (lit.)

mp

19-20 °C (lit.)

density

1.202 g/mL at 25 °C (lit.)

SMILES string

SCc1ccc(Cl)cc1

InChI

1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChI key

GKQXPTHQTXCXEV-UHFFFAOYSA-N

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Ben J Tickner et al.
Chemical science, 10(20), 5235-5245 (2019-06-14)
We report the formation of a series of novel [Ir(H)2(IMes)(α-13C2-carboxyimine)L] complexes in which the identity of the coligand L is varied. When examined with para-hydrogen, complexes in which L is benzylamine or phenethylamine show significant 1H hydride and 13C2 imine

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