3-(trifluoromethyl)phenyl isothiocyanate

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Names

[ CAS No. ]:
1840-19-3

[ Name ]:
3-(trifluoromethyl)phenyl isothiocyanate

[Synonym ]:
m-TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
3-(TrifluoroMethyl)phenyl Isothiocyanate
MFCD00004806
1-isothiocyanato-3-trifluoromethylbenzene
alpha,alpha,alpha-Trifluoro-m-tolyl isothiocyanate
α,α,α-Trifluoro-m-tolyl Isothiocyanate
meta-trifluoromethylphenyl isothiocyanate
Isothiocyanic Acid 3-(Trifluoromethyl)phenyl Ester

Chemical & Physical Properties

[ Density]:
1.335

[ Boiling Point ]:
206-208 °C

[ Molecular Formula ]:
C8H4F3NS

[ Molecular Weight ]:
203.18400

[ Flash Point ]:
94 °C

[ Exact Mass ]:
203.00200

[ PSA ]:
44.45000

[ LogP ]:
3.43970

[ Vapour Pressure ]:
0.331mmHg at 25°C

[ Index of Refraction ]:
1.555-1.557

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H312 + H332-H314-H335

[ 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 ]:
Xn,Xi,T,C:Harmful/Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S36/37/39-S26-S45-S28-S27

[ RIDADR ]:
2810

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • 3-(Trifluoromethyl)aniline
  • Thiophosgene
  • Perchloromethyl mercaptan
  • O,O-Di-2-pyridinyl carbonothioate
  • Thiourea,N-[3-(trifluoromethyl)phenyl]-
  • (E)-3-(5-bromothiophen-2-yl)acryloyl azide

DownStream

  • CFTR(inh)-172
  • 1-amino-3-[3-(trifluoromethyl)phenyl]thiourea
  • 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea
  • 4-Thiazolidinone,2-thioxo-3-[3-(trifluoromethyl)phenyl]-
  • Thiourea,N-(2-hydroxyethyl)-N'-[3-(trifluoromethyl)phenyl]-
  • N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
  • Thiourea,N-[3-(trifluoromethyl)phenyl]-
  • N-(4-Nitrophenyl)-3-(trifluoromethyl)aniline
  • (7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-METHYLPHENYL)METHANONE

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%

Related Compounds

  • 4-chloro-3-(trifluoromethyl)phenyl isothiocyanate
  • 4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate
  • 3-(TRIFLUOROMETHYL)PHENYL TRIFLUOROMETHANESULFONATE
  • [3-(Trifluoromethyl)phenyl]methanol
  • ({[3-(Trifluoromethyl)phenyl]amino}methylene)malononitrile
  • 3-(Trifluoromethyl)phenyl bromoacetate
  • {4H,5H,6H,7H,8H,9H-cycloocta[d][1,2]oxazol-3-yl}methanesulfonyl chloride
  • 2-ethyl-1-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]pyrrolidine-3-carboxylic acid
  • (2S)-3-cyclopropyl-2-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]propanoic acid
  • 2-{1-[(Benzyloxy)carbonyl]pyrrolidin-2-yl}-2-methylpropanoic acid
  • 2-{[4-(3-Bromopyridin-4-yl)-2-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrol-4-yl]oxy}acetic acid
  • 2-{[5-(2-Bromopyridin-3-yl)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]oxy}acetic acid
  • 2-{[5-(3-bromopyridin-4-yl)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-octahydro-1H-isoindol-5-yl]oxy}acetic acid
  • 2-({2-[(Benzyloxy)carbonyl]-6-(3-bromopyridin-4-yl)-2-azabicyclo[2.2.1]heptan-6-yl}oxy)acetic acid
  • 2-{3-[(2-ethyl-1H-imidazol-1-yl)methyl]azetidin-1-yl}-4-(trifluoromethyl)-1,3-thiazole
  • 6-Methyl-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]pyridine-3-carbonitrile
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