4-Chloro-3-(trifluoromethyl)phenylisocyanate

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Names

[ CAS No. ]:
327-78-6

[ Name ]:
4-Chloro-3-(trifluoromethyl)phenylisocyanate

[Synonym ]:
Sorafenib intermediate 3
Isocyanic Acid 4-Chloro-3-(trifluoromethyl)phenyl Ester
1-chloro-4-isocyanato-2-trifluoromethylbenzene
3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE
4-Cl-3CF3-phenyl isocyanate
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
MFCD00013874
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
4-Chloro-3-(trifluoromethyl)phenylisocyanate
Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
201.7±0.0 °C at 760 mmHg

[ Melting Point ]:
40-42 °C(lit.)

[ Molecular Formula ]:
C8H3ClF3NO

[ Molecular Weight ]:
221.564

[ Flash Point ]:
99.4±0.0 °C

[ Exact Mass ]:
220.985519

[ PSA ]:
29.43000

[ LogP ]:
4.93

[ Vapour Pressure ]:
0.3±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.487

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S7-S26-S27-S37/39-S36/37/39-S45-S23

[ RIDADR ]:
UN 2206 6.1/PG 3

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Triphosgene
  • 5-Amino-2-chlorobenzotrifluoride
  • phosgene
  • Diphosgene

DownStream

  • flucofuron
  • 1-[4-(4-Nitrophenoxy)phenyl]ethanone
  • Regorafenib (BAY 73-4506)
  • Sorafenib
  • Donafenib (Sorafenib D3)
  • Hedgehog-IN-7d
  • Cloflucarban
  • Hydantoin, 3-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-5,5-diethy l-
  • 1,1-dibenzyl-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
  • 1,1-dibutyl-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Synthesis and inhibitory activity of thymidine analogues targeting Mycobacterium tuberculosis thymidine monophosphate kinase

Bioorg. Med. Chem. 19(24) , 7603-1, (2011)

We report on Mycobacterium tuberculosis thymidine monophosphate kinase (TMPKmt) inhibitory activities of a series of new 3'- and 5'-modified thymidine analogues including α- and β-derivatives. In addi...

Synthesis and biological evaluation of sorafenib- and regorafenib-like sEH inhibitors.

Bioorg. Med. Chem. Lett. 23(13) , 3732-7, (2013)

To reduce the pro-angiogenic effects of sEH inhibition, a structure-activity relationship (SAR) study was performed by incorporating structural features of the anti-angiogenic multi-kinase inhibitor s...

A novel p21 attenuator which is structurally related to sorafenib.

Cancer Biol. Ther. 14(3) , 278-85, (2013)

p21 is a member of the cyclin kinase inhibitor family of proteins and plays pivotal roles in cellular proliferation as well as in the regulation of apoptosis, and thus has diverse functions in disease...


More Articles

Related Compounds

  • ((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)glycine
  • 4-chloro-3-(trifluoromethyl)anisole
  • (4-CHLORO-3-TRIFLUOROMETHYL-BENZYL)-HYDRAZINE
  • 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYLHYDRAZINEHYDROCHLORIDE
  • 4-chloro-3-(trifluoromethyl)quinoline
  • ((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)-L-tryptophan
  • (3-hydroxyazetidin-1-yl)(1-methyl-1H-1,2,3-triazol-4-yl)methanone
  • (3-aminoazetidin-1-yl)(1-methyl-1H-1,2,3-triazol-4-yl)methanone
  • (3-azidoazetidin-1-yl)(1-methyl-1H-1,2,3-triazol-4-yl)methanone
  • 1-(1-methyl-1H-1,2,3-triazole-4-carbonyl)azetidine-3-carboxylic acid
  • (4-(2-Hydroxyethyl)piperidin-1-yl)(tetrahydrofuran-2-yl)methanone
  • (3-Azidoazetidin-1-yl)(tetrahydrofuran-2-yl)methanone
  • Cyclopropyl(4-(2-hydroxyethyl)piperidin-1-yl)methanone
  • (3-Azidoazetidin-1-yl)(cyclopropyl)methanone
  • (4-(2-Hydroxyethyl)piperidin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
  • (3-Azidoazetidin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
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