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CAS Number: 39842-01-8
1-isothiocyanato-2,4-dimethylbenzene

Structure

 1-isothiocyanato-2,4-dimethylbenzene
Name: 1-isothiocyanato-2,4-dimethylbenzene
Synonyms:
General Information
Product Number: 39842018

CAS Registry Number 39842-01-8
Name:
Benzene, 1-?isothiocyanato-?2,?4-?dimethyl-
1-Isothiocyanato-2,4-dimethylbenzene
2,4-Dimethylphenyl isothiocyanate
2,4-Xylyl isothiocyanate

 

Chemical Formula: C9H9NS
Exact Mass: 163.05
Molecular Weight: 163.24
m/z: 163.05 (100.0%), 164.05 (9.8%), 165.04 (4.5%), 164.04 (1.2%)

 

InChI:InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3

InChI Key:HOHSBFCSOARUBF-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C=C1)N=C=S)C

 

Thermal Properties Value Condition Note
Boiling Point 266 °C   (1)CAS
Melting Point 29 °C   (1)CAS

Specification

98%
References
  1. (1) Dyson, C. M.; Journal of the Society of Chemical Industry, London 1926, V45, P81-5T CAPLUS
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