1-Thiocyanohexane

Modify Date: 2025-08-26 08:43:02

1-Thiocyanohexane Structure
1-Thiocyanohexane structure
 Common Name 1-Thiocyanohexane
CAS Number 6803-40-3 Molecular Weight 143.25000
Density 0.945g/cm3 Boiling Point 218.7ºC at 760 mmHg
Molecular Formula C7H13NS Melting Point N/A
MSDS USA Flash Point 86.1ºC

 Names

Name hexyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.945g/cm3
Boiling Point 218.7ºC at 760 mmHg
Molecular Formula C7H13NS
Molecular Weight 143.25000
Flash Point 86.1ºC
Exact Mass 143.07700
PSA 49.09000
LogP 2.78098
Index of Refraction 1.471

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1520000
CHEMICAL NAME :
Thiocyanic acid, hexyl ester
CAS REGISTRY NUMBER :
6803-40-3
BEILSTEIN REFERENCE NO. :
1748295
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H13-N-S
MOLECULAR WEIGHT :
143.27
WISWESSER LINE NOTATION :
NCS6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930

 Safety Information

HS Code 2930909090

 Synthetic Route

1-Bromohexane structure

1-Bromohexane

CAS#:111-25-1

~91%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(C.N.R.S.) Patent: US2008/15255 A1, 2008 ; Location in patent: Page/Page column 8 ;
1-Bromohexane structure

1-Bromohexane

CAS#:111-25-1

Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~92%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Kodomari, Mitsuo; Kuzuoka, Tetsuo; Yoshitomi, Suehiko Synthesis, 1983 , # 2 p. 141 - 142
Sodium thiocyanate structure

Sodium thiocyanate

CAS#:540-72-7

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~63%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Maeda; Kawaguchi; Masui; Ohmori Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 5 p. 1389 - 1391
4-bromobutyl selenocyanate structure

4-bromobutyl se...

CAS#:918945-55-8

N/A structure

N/A

CAS#:22487-02-1

~%

Thiophane structure

Thiophane

CAS#:110-01-0

Tetrahydro-selenophene structure

Tetrahydro-sele...

CAS#:3465-98-3

Detail
Literature: Krief, Alain; Dumont, Willy; Robert, Michael Synlett, 2006 , # 16 p. 2601 - 2604
Hexyl nitrate structure

Hexyl nitrate

CAS#:20633-11-8

Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Pattison; Brown Canadian Journal of Chemistry, 1956 , vol. 34, p. 879,880,882
n-Hexylmesylate, structure

n-Hexylmesylate,

CAS#:16156-50-6

Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Pattison; Millington Canadian Journal of Chemistry, 1956 , vol. 34, p. 757,760
1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Pattison; Millington Canadian Journal of Chemistry, 1956 , vol. 34, p. 757,760
chlorohexane structure

chlorohexane

CAS#:544-10-5

Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Cahours; Pelouze Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1863 , p. 526

 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

Thiocyansaeure-hexylester
hexylthiocyanate
1-Thiocyanohexane
1-hexylthiocyanate
Hexylthiocyanat
Thiocyanic acid,hexyl ester
Hexylrhodanid
Hexylrhodanid [German]
hexylsulfanyl cyanate
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