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MilliporeSigma

476439

2,6-Dimethylphenyl isothiocyanate

98%

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About This Item

Linear Formula:
(CH3)2C6H3NCS
CAS Number:
19241-16-8
Molecular Weight:
163.24
NACRES:
NA.22
PubChem Substance ID:
24871254
UNSPSC Code:
12352100
EC Number:
242-906-0
MDL number:
MFCD00038715
Assay:
98%

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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

100

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1 of 4

This Item
247189253154C105406
2,6-Dimethylphenyl isothiocyanate 98%

Sigma-Aldrich

476439

2,6-Dimethylphenyl isothiocyanate

4-Methoxyphenyl isothiocyanate 98%

Sigma-Aldrich

247189

4-Methoxyphenyl isothiocyanate

2-Bromophenyl isothiocyanate 98%

Sigma-Aldrich

253154

2-Bromophenyl isothiocyanate

Cyclohexyl isothiocyanate 98%

Sigma-Aldrich

C105406

Cyclohexyl isothiocyanate

assay

98%

assay

98%

assay

98%

assay

98%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

247 °C (lit.)

bp

280-281 °C (lit.)

bp

257 °C/770 mmHg (lit.)

bp

219 °C (lit.)

density

1.085 g/mL at 25 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

density

1.591 g/mL at 25 °C (lit.)

density

0.996 g/mL at 25 °C (lit.)

refractive index

n20/D 1.627 (lit.)

refractive index

n20/D 1.653 (lit.)

refractive index

n20/D 1.6843 (lit.)

refractive index

n20/D 1.536 (lit.)

functional group

isothiocyanate

functional group

isothiocyanate

functional group

bromo, isothiocyanate

functional group

-

pictograms

Exclamation mark
GHS07

signalword

Warning

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7395
MKBK0896V
05319DD
04610LB
02415JR

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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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