tert-octyl isothiocyanate

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Names

[ CAS No. ]:
17701-76-7

[ Name ]:
tert-octyl isothiocyanate

[Synonym ]:
MFCD00004817
EINECS 241-710-2
1,1,3,3-Tetramethyl-butylisothiocyanat
1,1,3,3-tetramethyl-butyl isothiocyanate
tert-octyl isothiocyanate
2-Isothiocyanato-2,4,4-trimethyl-pentan
Pentane,2-isothiocyanato-2,4,4-trimethyl
t-octyl isothiocyanate

Chemical & Physical Properties

[ Density]:
1.199

[ Boiling Point ]:
227.7ºC at 760mmHg

[ Molecular Formula ]:
C9H17NS

[ Molecular Weight ]:
171.30300

[ Flash Point ]:
69 °C

[ Exact Mass ]:
171.10800

[ PSA ]:
44.45000

[ LogP ]:
3.30400

[ Index of Refraction ]:
1.483-1.487

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S36/37/39-S26

[ RIDADR ]:
2810

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE
  • 2,4,4-Trimethylpent-1-ene
  • Thiourea,N,N'-bis(1,1,3,3-tetramethylbutyl)-
  • tert-Octylamine
  • Carbon disulphide

DownStream

  • Thiourea,N,N'-bis(1,1,3,3-tetramethylbutyl)-

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

  • tert-Octyl-tert-pentylamine
  • 2-octyl isothiocyanate
  • 2-Octyl isothiocyanate
  • 1-tert-octyl-3,5-dimethyl-2-phenyl-1,2-dihydro-1,2-λ3-azaphosphinine
  • 4-tert-Octyl-o-cresol
  • N-tert-octyl-N-(((S)-3-(3-fluoro-4-morpholinophenyl)-2-oxazolidin-5-yl)methyl)acetamide