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511781

Sigma-Aldrich

2,6-Difluorophenyl isothiocyanate

98%

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About This Item

Linear Formula:
F2C6H3NCS
CAS Number:
207974-17-2
Molecular Weight:
171.17
MDL number:
MFCD00041047
UNSPSC Code:
12352100
PubChem Substance ID:
24873560
NACRES:
NA.22

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

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

Health hazardCorrosion
GHS08,GHS05

Signal Word

Danger

Hazard Statements

H314,H334

Hazard Classifications

Resp. Sens. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

219.2 °F - closed cup

Flash Point(C)

104 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

511781-BULK:
511781-5G:
511781-1G:
511781-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
01514HD
08031AA
10602TS
07417TO

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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)
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

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