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51304-58-6

51304-58-6 Structure

51304-58-6 Structure
IdentificationMore
[Name]

4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE
[CAS]

51304-58-6
[Synonyms]

4-CYANO-4-PHENYLPIPERIDINE HCL
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE
4-PHENYL-4-PIPERIDINECARBONITRILE HCL
4-PHENYL-4-PIPERIDINECARBONITRILE HYDROCHLORIDE
LABOTEST-BB LT00233228
TIMTEC-BB SBB003334
4-phenylpiperidine-4-carbonitrile hydrochloride
4-Phenyl 4-Cyano Piperidine
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE 99%
[EINECS(EC#)]

257-124-5
[Molecular Formula]

C12H15ClN2
[MDL Number]

MFCD00012775
[Molecular Weight]

222.71
[MOL File]

51304-58-6.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white crystalline powder
[Melting point ]

210-214 °C
[storage temp. ]

Store at room temperature, keep dry and cool
[form ]

Crystalline Powder
[color ]

White to off-white
[InChI]

InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
[InChIKey]

CQPHZBOPSZGTJM-UHFFFAOYSA-N
[SMILES]

C(C1(C2C=CC=CC=2)CCNCC1)#N.Cl
[CAS DataBase Reference]

51304-58-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN3439
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Diethyl ether-->Dichloromethane-->Thionyl chloride-->Toluene-->Triethylamine-->Sodium hydride-->Di-tert-butyl dicarbonate-->Benzeneacetonitrile-->Diethanolamine-->Sodium amide-->Bis(2-chloroethyl)amine hydrochloride-->1-N-Boc-4-phenylpiperidine-4-carbonitrile
[Preparation Products]

1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride
Hazard InformationBack Directory
[Chemical Properties]

White to off-white crystalline powder
[Uses]

Reactant for synthesis of:
  • CCR5 antagonists derived at the N-terminal of the piperidine ring
  • Substituted piperidines as lignads of chemokine receptor 5 and inhibitors of HIV-1
  • Functionalized nitrogen heterocycles by radical decarboxylation of β- and γ- amino acids
  • Benzovesamicol analogs as potential imaging probes for vesicular acetylcholine transporters
  • Neurotransmitter transporter inhibitors with activity at dopamine receptor sites
  • α1a Adrenoceptor-selective antagonists
Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6)MS
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6)1HNMR
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6)13CNMR
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6)IR1
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE(51304-58-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Cyano-4-phenylpiperidine hydrochloride, 99%(51304-58-6)
[Alfa Aesar]

4-Cyano-4-phenylpiperidine hydrochloride, 97%(51304-58-6)
[Sigma Aldrich]

51304-58-6(sigmaaldrich)
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