hexyl isothiocyanate

Suppliers

Names

[ CAS No. ]:
4404-45-9

[ Name ]:
hexyl isothiocyanate

[Synonym ]:
1-Hexyl isothiocyanate
1-Isothiocyanatohexane,n-Hexyl mustard oil
EINECS 224-549-2
MFCD00014445
Hexyl Isothiocyanate
1-isothiocyanatohexane

Chemical & Physical Properties

[ Density]:
0.933 g/mL at 25 °C(lit.)

[ Boiling Point ]:
136-138 °C96 mm Hg(lit.)

[ Molecular Formula ]:
C7H13NS

[ Molecular Weight ]:
143.25000

[ Flash Point ]:
195 °F

[ Exact Mass ]:
143.07700

[ PSA ]:
44.45000

[ LogP ]:
2.66950

[ Index of Refraction ]:
n20/D 1.491(lit.)

MSDS

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H311-H315-H319-H331-H335

[ Precautionary Statements ]:
P261-P280-P301 + P310-P305 + P351 + P338-P311

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

[ Hazard Codes ]:
Xn:Harmful;

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

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

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • Hexylamine
  • Phenyl chlorothionocarbonate
  • o-phenyl hexylcarbamothioate
  • 1-Bromohexane
  • Sodium thiocyanate
  • ethyl hexylcarbamodithioate
  • Thiophosgene

DownStream

  • 1,3-dihexylthiourea
  • 4-Hexyl-3-thiosemicarbazide
  • Hexane, 1-isocyano-
  • 1-hexyl-3-(hexylcarbamothioylamino)thiourea

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

Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita.

J. Agric. Food Chem. 63 , 6120-5, (2015)

Research on new pesticides based on plant extracts, aimed at the development of nontoxic formulates, has recently gained increased interest. This study investigated the use of the volatilome of rucola...

Anti-nitric oxide production activity of isothiocyanates correlates with their polar surface area rather than their lipophilicity.

Eur. J. Med. Chem. 44 , 4931-6, (2009)

There is increasing demand for novel anti-inflammatory drugs with different mechanisms of action. We synthesized a series of isothiocyanates 2b-h based on 6-(methylsulfinyl)hexyl isothiocyanate (6-MIT...

Moody CJ.

Comprehensive Organic Functional Group Transformations: Synthesis: carbon with two heteroatoms, each attached by a single bond , (1995) 5 , 1009


More Articles


Related Compounds

  • 2-Hexyl isothiocyanate
  • 2-ethylhexyl isothiocyanate
  • 2-ethylhexyl isothiocyanate
  • 6-fluoro-hexyl isothiocyanate
  • (S)-(+)-2-HEXYL ISOTHIOCYANATE
  • (R)-(-)-2-Hexyl isothiocyanate