2,6-difluorophenyl isothiocyanate

Modify Date: 2025-08-24 22:16:17

2,6-difluorophenyl isothiocyanate Structure
2,6-difluorophenyl isothiocyanate structure
Common Name 2,6-difluorophenyl isothiocyanate
CAS Number 207974-17-2 Molecular Weight 171.16700
Density 1.325 g/mL at 25 °C(lit.) Boiling Point 217 °C(lit.)
Molecular Formula C7H3F2NS Melting Point N/A
MSDS Chinese USA Flash Point 220 °F
Symbol GHS05 GHS08
GHS05, GHS08
Signal Word Danger

 Names

Name 1,3-difluoro-2-isothiocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.325 g/mL at 25 °C(lit.)
Boiling Point 217 °C(lit.)
Molecular Formula C7H3F2NS
Molecular Weight 171.16700
Flash Point 220 °F
Exact Mass 170.99500
PSA 44.45000
LogP 2.69910
Vapour Pressure 1.21mmHg at 25°C
Index of Refraction n20/D 1.604(lit.)
InChIKey DBSXNGIBAKYMSS-UHFFFAOYSA-N
SMILES Fc1cccc(F)c1N=C=S
Storage condition 2-8°C

 Safety Information

Symbol GHS05 GHS08
GHS05, GHS08
Signal Word Danger
Hazard Statements H314-H334
Precautionary Statements P261-P280-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C: Corrosive;T: Toxic;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S27-S36/37/39-S45
RIDADR UN 1760 8/PG 2
WGK Germany 3
Packaging Group II
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~10%

2,6-difluorophenyl isothiocyanate Structure

2,6-difluorophe...

CAS#:207974-17-2

Literature: Buettelmann, Bernd; Ceccarelli, Simona Maria; Jaeschke, Georg; Kolczewski, Sabine; Porter, Richard Hugh Philip; Vieira, Eric Patent: US2006/160857 A1, 2006 ; Location in patent: Page/Page column 29 ; US 20060160857 A1

~%

2,6-difluorophenyl isothiocyanate Structure

2,6-difluorophe...

CAS#:207974-17-2

Literature: Journal of Fluorine Chemistry, , vol. 127, # 2 p. 182 - 186

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles2

More Articles
Antihypertensive (2-aminoethyl)thiourea derivatives. 1.

J. Med. Chem. 23(12) , 1387-92, (1980)

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 ...

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.

J. Med. Chem. 48(13) , 4208-4211, (2005)

 Synonyms

2,6-Difluorophenyl isothiocyanate
2,5-DIFLUOROBENZENESULFONAMIDE, MIN.
2,6-difluorobenzenisothiocyanate
1,3-difluoro-2-isothiocyanato-benzene
2,6-Difluorphenylisothiocyanat
MFCD00041047
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