Thiocyanic acid, heptyl ester

Modify Date: 2024-01-12 07:53:02

Thiocyanic acid, heptyl ester Structure
Thiocyanic acid, heptyl ester structure
Common Name Thiocyanic acid, heptyl ester
CAS Number 5416-94-4 Molecular Weight 157.27600
Density 0.936g/cm3 Boiling Point 234.8ºC at 760 mmHg
Molecular Formula C8H15NS Melting Point N/A
MSDS N/A Flash Point 95.8ºC

 Names

Name heptyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.936g/cm3
Boiling Point 234.8ºC at 760 mmHg
Molecular Formula C8H15NS
Molecular Weight 157.27600
Flash Point 95.8ºC
Exact Mass 157.09300
PSA 49.09000
LogP 3.17108
Index of Refraction 1.471

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1227000
CHEMICAL NAME :
Thiocyanic acid, heptyl ester
CAS REGISTRY NUMBER :
5416-94-4
BEILSTEIN REFERENCE NO. :
1749810
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H15-N-S
MOLECULAR WEIGHT :
157.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972

 Safety Information

HS Code 2930909090

 Synthetic Route

~%

Thiocyanic acid, heptyl ester Structure

Thiocyanic acid...

CAS#:5416-94-4

Literature: Bogert Journal of the American Chemical Society, 1903 , vol. 25, p. 289

~%

Thiocyanic acid, heptyl ester Structure

Thiocyanic acid...

CAS#:5416-94-4

Literature: Bogert Journal of the American Chemical Society, 1903 , vol. 25, p. 289

~89%

Thiocyanic acid, heptyl ester Structure

Thiocyanic acid...

CAS#:5416-94-4

Literature: Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

~%

Thiocyanic acid, heptyl ester Structure

Thiocyanic acid...

CAS#:5416-94-4

Literature: Caronna,T. et al. Tetrahedron, 1977 , vol. 33, p. 793 - 796

~%

Thiocyanic acid, heptyl ester Structure

Thiocyanic acid...

CAS#:5416-94-4

Literature: Mueller,E.; Schmidt,E.W. Chemische Berichte, 1963 , vol. 96, p. 3050 - 3061

 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

Heptylthiocyanat
heptylsulfanyl cyanate
n-Heptylrhodanid
n-Heptylthiocyanat
Thiocyansaeure-heptylester
Thiocyanic acid,heptyl ester
prim.-n-Heptyl-rhodanid
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