3,5-di(trifluoromethyl)phenyl isothiocyanate

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Names

[ CAS No. ]:
23165-29-9

[ Name ]:
3,5-di(trifluoromethyl)phenyl isothiocyanate

[Synonym ]:
3,5-di(trifluoromethyl)phenyl isothiocyanate
3,5-BIS-TRIFLUOROMETHYLPHENYL ISOTHIOCYANATE
Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-
3,5-Bis(trifluoromethyl)phenyl Isothiocyanate
1-isothiocyanato-3
MFCD00040838
1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
Isothiocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
227.5±40.0 °C at 760 mmHg

[ Melting Point ]:
160ºC

[ Molecular Formula ]:
C9H3F6NS

[ Molecular Weight ]:
271.182

[ Flash Point ]:
91.4±27.3 °C

[ Exact Mass ]:
270.989044

[ PSA ]:
44.45000

[ LogP ]:
6.26

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.459

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H319-H335

[ Precautionary Statements ]:
P280-P301 + P310 + P330-P304 + P340 + P312-P305 + P351 + P338-P337 + P313

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C,T,Xi

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S22-S26-S27-S36/37/39-S45

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • 3,5-Di(trifluoromethyl)aniline
  • Thiophosgene

DownStream

  • 4-[3,5-bis(trifluoromethyl)phenyl]-3-thiosemicarbazide
  • 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-THIOUREA
  • 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((1R)-(6-METHOXYQUINOLIN-4-YL)((2R,4S,5R)-5-VINYLQUINUCLIDIN-2-YL)METHYL)THIOUREA
  • N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]thiourea
  • (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

Preparation


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%

Articles

Synthesis of chiral sulfoximine-based thioureas and their application in asymmetric organocatalysis.

Beilstein J. Org. Chem. 8 , 1443-51, (2012)

For the first time, chiral sulfoximine derivatives have been applied as asymmetric organocatalysts. In combination with a thiourea-type backbone the sulfonimidoyl moiety leads to organocatalysts showi...

Self-assembled monolayers of aromatic omega-aminothiols on gold: surface chemistry and reactivity.

Langmuir 26(6) , 3949-54, (2010)

Amino-terminated self-assembled monolayers on gold substrates were studied by X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) measurements, and atomic force ...

Determination of accessible amino groups on surfaces by chemical derivatization with 3,5-bis(trifluoromethyl)phenyl isothiocyanate and XPS/NEXAFS analysis.

Anal. Bioanal. Chem 396(2) , 725-38, (2010)

The determination of amino groups on surfaces capable of binding biomolecules is important for the understanding and optimization of technologically relevant coupling processes. In this study, three d...


More Articles

Related Compounds

  • [3,5-di(trifluoromethyl)phenyl][4-(trifluoromethoxy)phenyl]methanone
  • bis(3,5-di(trifluoromethyl)phenyl)phosphine
  • N1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-2-([5-CHLORO-2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]THIO)ACETAMIDE
  • Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine
  • N1-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]METHYL-3-BROMOBUTANAMIDE
  • methyl 2-([[3,5-di(trifluoromethyl)phenyl]sulfonyl]amino)-4-(methylthio)butanoate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • Methyl 1-(2-aminoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
  • 3-(1,1-Difluoro-3-hydroxypropyl)benzonitrile
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine