Hexane,1,6-diisothiocyanato-

Modify Date: 2024-01-02 16:34:16

Hexane,1,6-diisothiocyanato- Structure
Hexane,1,6-diisothiocyanato- structure
Common Name Hexane,1,6-diisothiocyanato-
CAS Number 5586-70-9 Molecular Weight 200.32400
Density 1.06g/cm3 Boiling Point 326.8ºC at 760mmHg
Molecular Formula C8H12N2S2 Melting Point 183ºC
MSDS N/A Flash Point 158.5ºC

 Names

Name 1,6-Hexane diisothiocyanate
Synonym More Synonyms

 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

~87%

Hexane,1,6-diisothiocyanato- Structure

Hexane,1,6-diis...

CAS#:5586-70-9

Literature: Asahi Kasei Chemicals Corporation; SHINOHATA Masaaki; MIYAKE Nobuhisa Patent: EP2641896 A1, 2013 ; Location in patent: Paragraph 0244-0247 ;

~89%

Hexane,1,6-diisothiocyanato- Structure

Hexane,1,6-diis...

CAS#:5586-70-9

Literature: Li, Ge; Tajima, Hirokumu; Ohtani, Takahito Journal of Organic Chemistry, 1997 , vol. 62, p. 4539 - 4540

~%

Hexane,1,6-diisothiocyanato- Structure

Hexane,1,6-diis...

CAS#:5586-70-9

Literature: Carbohydrate Research, , vol. 314, # 1-2 p. 47 - 63

~%

Hexane,1,6-diisothiocyanato- Structure

Hexane,1,6-diis...

CAS#:5586-70-9

Literature: Carbohydrate Research, , vol. 314, # 1-2 p. 47 - 63

~%

Hexane,1,6-diisothiocyanato- Structure

Hexane,1,6-diis...

CAS#:5586-70-9

Literature: Angewandte Chemie, , vol. 59, p. 261 Chem.Abstr., , p. 6160

 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%

 Synonyms

1,6-diisothiocyanatohexane