Hexane,1,6-diisothiocyanato-

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Names

[ CAS No. ]:
5586-70-9

[ Name ]:
Hexane,1,6-diisothiocyanato-

[Synonym ]:
1,6-diisothiocyanatohexane

Chemical & Physical Properties

[ Density]:
1.06g/cm3

[ Boiling Point ]:
326.8ºC at 760mmHg

[ Melting Point ]:
183ºC

[ Molecular Formula ]:
C8H12N2S2

[ Molecular Weight ]:
200.32400

[ Flash Point ]:
158.5ºC

[ Exact Mass ]:
200.04400

[ PSA ]:
88.90000

[ LogP ]:
2.75240

[ Index of Refraction ]:
1.552

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8763000
CHEMICAL NAME :
Isothiocyanic acid, hexamethylene ester
CAS REGISTRY NUMBER :
5586-70-9
BEILSTEIN REFERENCE NO. :
1765297
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H12-N2-S2
MOLECULAR WEIGHT :
200.34
WISWESSER LINE NOTATION :
SCN6NCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08108

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • 1,6-Hexanediamine
  • ethyl 6-(ethoxycarbonylsulfanylcarbothioylamino)hexylcarbamothioylsulfanylformate
  • Thiophosgene

DownStream

  • 1-amino-3-[6-(aminocarbamothioylamino)hexyl]thiourea
  • 1-(benzylideneamino)-3-[6-[(benzylideneamino)carbamothioylamino]hexyl]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%

Related Compounds

  • Hexane-1,6-diylbis[oxytriphenylphosphonium triflate]
  • hexane-1,6-diyl bis(2-methylpropanoate)
  • hexane-1,6-diamine,2-methyloxirane,oxirane
  • hexane-1,6-diamine,terephthalic acid
  • (hexane-1,6-diolato-O)tris(propan-2-olato)titanium
  • hexane-1,6-diamine,oxalic acid
  • N-(7-Methyl-2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
  • N-Ethyl-4,5-dihydro-3,5-diphenyl-1H-pyrazole-1-carboxamide
  • 2-[(5-Cyano-2-phenyl-2H-benzotriazol-4-yl)thio]acetic acid
  • N-(Carboxymethyl)-N-(2-methylpropyl)glycine 1-methyl ester
  • 6-(Bromomethyl)-2-[4-(bromomethyl)phenyl]benzo[b]thiophene
  • 2,5-Oxazolidinedione, 4,4a(2)-(1,3-propanediyl)bis-, (R*,S*)-
  • 1-Amino-4-ethyl-5-methyl-1,3-cyclopentanedicarboxylic acid
  • 4H-1,3-Thiazine-5-acetic acid, 2-amino-5,6-dihydro-4-oxo-, methyl ester
  • Butanamide, N,Na(2)-[1,4-phenylenebis(methylene)]bis[4-amino-
  • 1,2,3-Benzenetriol, 5-nitro-, 1-(4-methylbenzenesulfonate)