4-methylbenzoyl isothiocyanate

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Names

[ CAS No. ]:
16794-68-6

[ Name ]:
4-methylbenzoyl isothiocyanate

[Synonym ]:
Benzoyl isothiocyanate,4-methyl
N-<p-Toluoyl>-isothiocyanat
p-Toluoyl Isothiocyanat
4-methyl-benzoyl isothiocyanate
4-Methylbenzoylisothiocyanat
4-methyl-1-benzenecarbonyl isothiocyanate
p-methylbenzoyl isothiocyanate

Chemical & Physical Properties

[ Density]:
1.11 g/cm3

[ Boiling Point ]:
283.9ºC at 760 mmHg ， 100ºC/1mm Hg

[ Melting Point ]:
100ºC

[ Molecular Formula ]:
C9H7NOS

[ Molecular Weight ]:
177.22300

[ Flash Point ]:
125.5ºC

[ Exact Mass ]:
177.02500

[ PSA ]:
61.52000

[ LogP ]:
2.23800

[ Vapour Pressure ]:
0.00307mmHg at 25°C

[ Index of Refraction ]:
1.576

Safety Information

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
UN 2810

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • p-toluoyl chloride
  • Potassium thiocyanate
  • triisopropylsilyl p-toluate
  • 4-Methylbenzoic acid
  • Sodium thiocyanate
  • Lead (II) thiocyanate

DownStream

  • 2-Benzoxazolinone
  • 4-methyl-N-thiocarbamoyl-benzamide
  • 4-(p-tolyl)-2H-benzo[4,5]oxazolo[3,2-a][1,3,5]triazine-2-thione
  • 4-methyl-N-(phenylthiocarbamoyl)benzamide

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-methylbenzoyl)sulfamic acid
  • 4-methylbenzoyl radical
  • 4-methylbenzoyl cyanide
  • 4-methylbenzoyl peroxide
  • 4-methylbenzoyl azide
  • [(4-methylbenzoyl)amino]methyl-triphenylphosphanium,perchlorate
  • 2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
  • 2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)-N-(4-(trifluoromethoxy)phenyl)acetamide
  • 2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)-N-(3-nitrophenyl)acetamide
  • ethyl 2-(2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)acetamido)benzoate
  • methyl 4-(2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)acetamido)benzoate
  • N-(3-acetamidophenyl)-2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)acetamide
  • 2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)-N-cyclopentylacetamide
  • Acq2hmx3P6
  • 2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)-N-cyclohexylacetamide
  • 2-((1-(2-(azepan-1-yl)-2-oxoethyl)-1H-indol-3-yl)sulfonyl)-N-benzylacetamide
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