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511781

2,6-Difluorophenyl isothiocyanate

Name: 2,6-Difluorophenyl isothiocyanate
Brand: ALDRICH

98%

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About This Item

Linear Formula:

F₂C₆H₃NCS

CAS Number:

207974-17-2

Molecular Weight:

171.17

NACRES:

NA.22

PubChem Substance ID:

24873560

UNSPSC Code:

12352100

MDL number:

MFCD00041047

Assay:

98%

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Properties

Quality Segment

100

assay

98%

refractive index

n20/D 1.604 (lit.)

bp

217 °C (lit.)

density

1.325 g/mL at 25 °C (lit.)

functional group

fluoro, isothiocyanate

storage temp.

2-8°C

SMILES string

Fc1cccc(F)c1N=C=S

InChI

1S/C7H3F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

InChI key

DBSXNGIBAKYMSS-UHFFFAOYSA-N

Description

General description

2,6-Difluorophenyl isothiocyanate (1,3-Difluoro-2-isothiocyanatobenzene), an aryl isocyanate, can be prepared from difluoroaniline. 1H-[1,2,4]triazole-3,5-diamine undergoes acylation with 2,6-difluorophenyl isothiocyanate to form the corresponding 1-acyl-1H-[1,2,4]triazole-3,5-diamine.

pictograms

GHS08,GHS05

signalword

Danger

hcodes

H314,H334

pcodes

P261 - P280 - P284 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Resp. Sens. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

219.2 °F - closed cup

flash_point_c

104 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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