522929
3,5-Dimethylbenzenethiol
90%
Synonym(s):
3,5-Dimethylthiophenol
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About This Item
Linear Formula:
(CH3)2C6H3SH
CAS Number:
Molecular Weight:
138.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
253-901-8
MDL number:
Product Name
3,5-Dimethylbenzenethiol, 90%
InChI key
CESBAYSBPMVAEI-UHFFFAOYSA-N
InChI
1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
SMILES string
Cc1cc(C)cc(S)c1
assay
90%
refractive index
n20/D 1.568 (lit.)
bp
127.5 °C/50 mmHg (lit.)
density
1.015 g/mL at 25 °C (lit.)
Quality Level
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Application
3,5-Dimethylbenzenethiol may be employed as a starting reagent in the preparation of Lithium 2-lithio-3,5-dimethylbenzenethiolate. It may also be used in the preparation of 1,1,2-trichloro-4-(3,5-dimethylphenylthio)-1-buten-3-yne and 1,1,2,4-tetrachloro-4-(3,5-dimethylphenylthio)-1,3-butadiene.
General description
3,5-Dimethylbenzenethiol is an organic building block. It is also referred to as 5-mercapto-m-xylene.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
185.0 °F - closed cup
flash_point_c
85 °C - closed cup
Regulatory Information
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Directed lithiation of arenethiols.
Smith K, et al.
Journal of the American Chemical Society, 111(2), 665-669 (1989)
Ibis C and Sahin A.
Bull. Korean Chem. Soc., 31(8), 2255-2260 (2010)
Homan Kang et al.
Scientific reports, 5, 10144-10144 (2015-05-29)
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