476439
2,6-Dimethylphenyl isothiocyanate
98%
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About This Item
Linear Formula:
(CH3)2C6H3NCS
CAS Number:
Molecular Weight:
163.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
242-906-0
MDL number:
Assay:
98%
InChI key
UULUECCNPPJFBU-UHFFFAOYSA-N
InChI
1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
SMILES string
Cc1cccc(C)c1N=C=S
assay
98%
refractive index
n20/D 1.627 (lit.)
bp
247 °C (lit.)
density
1.085 g/mL at 25 °C (lit.)
functional group
isothiocyanate
Quality Level
Related Categories
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Reactivity of di (azido) bis (phosphine) complexes of Ni (II), Pd (II) and Pt (II) toward organic isothiocyanates: synthesis, structures, and properties of bis (tetrazole-thiolato) and bis (isothiocyanato) complexes.
Kim YJ, et al.
Dalton Transactions, 17, 3357-3364 (2003)
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 565-565 (2014)
Preparation of aryl isothiocyanates via protected phenylthiocarbamates and application to the synthesis of caffeic acid (4-isothiocyanato)phenyl ester.
X Zhang et al.
The Journal of organic chemistry, 65(19), 6237-6240 (2000-09-16)
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