CAS
3984-14-3 Purity
98%
3984-14-3 Purity
98%
![N,N-Dimethyl-6-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-8-sulfonamide; methanesulfonate](https://resource.alfa-chemistry.com/structure/39841-98-0.gif)
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2,4-DIMETHYLPHENYL ISOTHIOCYANATE
CAS
39842-01-8
Catalog Number
ACM39842018
Category
Other Products
Molecular Weight
163.24
Molecular Formula
C9H9NS
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Specification
Synonyms
Xylyl isothiocyanate, 2,4-Dimethylphenyl isothiocyanate, 1-Isothiocyanato-2,4-dimethylbenzene, 2,4-Dimethylphenylisothiocyanate, ZINC00164711, EINECS 275-839-0, CID142386, STK299987, T5308464, 39842-01-8, 71685-97-7
IUPAC Name
1-isothiocyanato-2,4-dimethylbenzene
Canonical SMILES
CC1=CC(=C(C=C1)N=C=S)C
InChI Key
HOHSBFCSOARUBF-UHFFFAOYSA-N
Boiling Point
122ºC
Melting Point
27ºC
Flash Point
122-130°C/8mm
Density
1.01g/cm³
EC Number
275-839-0
Exact Mass
163.04600
Hazard Statements
Xi,C
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
Downstream Synthesis Route 1
- 39842-01-8
- 21789-36-6
Reference: [1]Patent: DE259364,
Downstream Synthesis Route 2
- 39842-01-8
- 16738-20-8
Reference: [1]Dyson; George
[Journal of the Chemical Society, 1924, vol. 125, p. 1704]
Dyson; Hunter
[Journal of the Society of Chemical Industry, 1926, vol. 45, p. 84 T][Chemisches Zentralblatt, 1926, vol. 97, # I, p. 3139]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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