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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 Level

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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1-Acyl-1H-[1,2,4] triazole-3,5-diamine Analogues as Novel and Potent Anticancer Cyclin-Dependent Kinase Inhibitors: Synthesis and Evaluation of Biological Activities.

Lin R, et al.

Journal of Medicinal Chemistry, 48(13), 4208-4211 (2005)

Antihypertensive (2-aminoethyl)thiourea derivatives. 1.

J W Tilley et al.

Journal of medicinal chemistry, 23(12), 1387-1392 (1980-12-01)

Structure-activity studies were carried out on a series of antihypertensive 1-(2-aminoethyl)-3-(substituted phenyl)thioureas. From this class of compounds, the 2,6-dichlorophenyl analogue 2 was found to have potent oral antihypertensive activity in two hypertensive rat models and the renal hypertensive dog. In

Global Trade Item Number

SKU	GTIN
511781-5G	04061837248306
511781-1G	04061837248290