Thiocyanic acid, heptyl ester

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Names

[ CAS No. ]:
5416-94-4

[ 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

  • bromoheptane
  • Potassium thiocyanate
  • Heptan-1-ol
  • methyl thiocyanate
  • 1-Iodoheptane
  • 1-Chloroheptane
  • Heptane

DownStream

  • Heptyl disulfide
  • heptanethiol
  • 1-ethylsulfanyl-heptane

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%

Related Compounds

  • Octadecanoic acid,heptyl ester
  • carbonic acid heptyl ester-(2-nitro-phenyl ester)
  • hypochlorous acid heptyl ester
  • chlorosulfurous acid heptyl ester
  • Benzoic acid, heptyl ester
  • 2-Propenoic acid,heptyl ester
  • 2-Cyclopropoxy-4-fluoro-1-iodobenzene
  • (4-Chloro-3-nitrophenyl)(1-fluorocyclopropyl)methanone
  • 2-Pyridinamine, 3-bromo-N-ethyl-5-nitro-
  • 1-(2-Bromophenyl)-2-(pyrrolidin-2-YL)ethan-1-one
  • 3-Ethyl-N-(piperidin-4-ylmethyl)aniline
  • 1-Amino-2-(4-chloro-3-methoxyphenyl)propan-2-ol
  • 1-(Pyridin-3-yl)-2-(pyrrolidin-2-yl)ethan-1-one
  • 1-Cyclopentyl-2-(piperidin-2-yl)ethan-1-one
  • 1-(2-Methylphenyl)-2-(pyrrolidin-2-YL)ethan-1-one
  • 3-[(3-Bromo-5-fluorophenyl)methoxy]azetidine
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