Piperidine,1-[(4-isothiocyanatophenyl)sulfonyl]-

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Names

[ CAS No. ]:
7356-55-0

[ Name ]:
Piperidine,1-[(4-isothiocyanatophenyl)sulfonyl]-

[Synonym ]:
Isothiocyanic acid,(4-piperidinosulfonylphenyl) ester
4-(piperidine-1-sulfonyl)phenylisothiocyanate
N-(4-Isothiocyanatobenzenesulfonyl)piperidine
1-(4-isothiocyanatophenylsulfonyl)piperidine
1-(4-isothiocyanatobenzenesulfonyl)piperidine
N-(4-Piperidinosulfonylphenyl)isothiocyanate

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Boiling Point ]:
444.6ºC at 760 mmHg

[ Melting Point ]:
126ºC

[ Molecular Formula ]:
C12H14N2O2S2

[ Molecular Weight ]:
282.38200

[ Flash Point ]:
222.7ºC

[ Exact Mass ]:
282.05000

[ PSA ]:
90.21000

[ LogP ]:
3.61420

[ Index of Refraction ]:
1.639

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9300000
CHEMICAL NAME :
Isothiocyanic acid, (4-piperidinosulfonyl)phenyl ester
CAS REGISTRY NUMBER :
7356-55-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H14-N2-O2-S2
MOLECULAR WEIGHT :
282.40
WISWESSER LINE NOTATION :
T6NTJ ASWR DNCS

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 :
100 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#00951

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
UN 2811

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • 1-sulfanilyl-piperidine, hydrochloride
  • Benzenamine,4-(1-piperidinylsulfonyl)-
  • O,O-Di-2-pyridinyl carbonothioate

DownStream

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-ETHYL-1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]PIPERIDINE
  • 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
  • 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]-3-METHYLPIPERIDINE
  • 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]-2,6-DIMETHYLPIPERIDINE
  • 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]-3,5-DIMETHYLPIPERIDINE
  • 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]-2-METHYLPIPERIDINE
  • 1-[2-Bromo-5-(trifluoromethyl)phenyl]cyclopropanecarboxaldehyde
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 4-(2-Nitrobenzenesulfonyl)-4,8-diazatricyclo[5.2.2.0,2,6]undecane
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine