Hexane,1,6-diisothiocyanato-

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

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

Name	1,6-Hexane diisothiocyanate
Synonym	More Synonyms

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

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

HS Code	2930909090

N/A

CAS#:1370652-54-2

~87%

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 ;

Carbon disulphide

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1,6-Hexanediamine

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~89%

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

ethyl 6-(ethoxy...

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Hexane,1,6-diis...

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1,6-Hexanediamine

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Hexane,1,6-diis...

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Thiophosgene

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Hexane,1,6-diis...

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

Precursor 4
CAS#:75-15-0 Carbon disulphide CAS#:124-09-4 1,6-Hexanediamine CAS#:19657-28-4 ethyl 6-(ethoxy... CAS#:463-71-8 Thiophosgene
DownStream 2
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