CAS 1978-61-6 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride (HCID 197747)

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Basic information

CAS: 1978-61-6
Standard SMILES: Cl.Fc1ccc(C2=CCNCC2)cc1
InChIKey: CTTBTYWBXXWBMU-UHFFFAOYSA-N
Molecular formula: C11H13ClFN
Average molar mass: 213.68 g/mol
Monoisotopic mass: 213.07205532

Names & identifiers

Preferred name: 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
IUPAC: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
English name: 4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
Molecular formula: C11H13ClFN
Molecular weight: 213.68

Names & synonyms

1978-61-64-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochlorideNSC 89742EINECS 217-836-94-(p-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloridePyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloridePyridine, 1,2,3,6-tetrahydro-4-(p-fluorophenyl)-, hydrochlorideDTXSID50173475RefChem:288011DTXCID0095966Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (9CI)217-836-9

Show more names

Paroxetine Impurity 55 HCl4-(p-fluorophenyl)-1,2,3,6-tetrahydropyridinehydrochloride1,2,3,6-tetrahydro-4-(p-fluorophenyl)-pyridinhydrochloride4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORID4-(4-Fluorophenyl)-1,2,5,6-tetrahydropyridine Hydrochloride1-Fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzene hydrochloride4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride, 99+%

MFCD000352784-(4-fluorophenyl)-1,2,3,6-tetrahydropyridinehydrochloride4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloridePyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (1:1)4-(4-Fluorophenyl)-1,2,5,6-tetrahydropyridine Hydrochloride; 4-(p-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride;SCHEMBL7306254-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine HCl4-(4-fluorophenyl)-1,2,3,6-tetrahydro-pyridine hydrochloride

Properties

Computed structural properties

Topological polar surface area: 12 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 169 · 169-173 °C
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: DMSO (Slightly), Water (Slightly)
form: Solid
color: Light Brown to Brown
Stability: Hygroscopic
InChI: 1S/C11H12FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H
InChIKey: CTTBTYWBXXWBMU-UHFFFAOYSA-N
SMILES: FC1=CC=C(C2=CCNCC2)C=C1.Cl
CAS DataBase Reference: 1978 · 1978-61-6
UNSPSC Code: 12352005 · 12352005
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Precautionary statements: 280 · P280-P309+P311
Hazard Codes: T

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk: WGK 3
hs_code: 29333999
risk_code: 40-23/24/25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 45-38-36/37/39-28A
Storage Class: 11 - Combustible Solids
Hazard statements: H301+H311+H331
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Skin Sens. 1
Precautionary statements: P280-P309+P311

Chemistry & industry

Applications

UsesA reagent in the preparation of 4-phenyl-tetrahydrophenyl substituted oxazolidinone derivatives with potent central nervous depressant, analgetic, and antiinflammatory activities as well as α1A adrenergic receptor antagonists.