Thiocyanic acid, heptyl ester

Names

[ Name ]:
Thiocyanic acid, heptyl ester

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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%