CAS 325-14-4 7-(Trifluoromethyl)quinoline (HCID 459614)

Substructure search Find similar structures

Basic information

CAS: 325-14-4
Standard SMILES: FC(F)(F)c1ccc2cccnc2c1
InChIKey: CMMSEFHVUYEEDY-UHFFFAOYSA-N
Molecular formula: C10H6F3N
Average molar mass: 197.16 g/mol
Monoisotopic mass: 197.04523385

Names & identifiers

Preferred name: 7-(Trifluoromethyl)quinoline
IUPAC: 7-(trifluoromethyl)quinoline
English name: 7-(TRIFLUOROMETHYL)QUINOLINE
Molecular formula: C10H6F3N
Molecular weight: 197.16

Names & synonyms

7-(Trifluoromethyl)quinoline325-14-4DTXSID90332685RefChem:310224DTXCID80283778MFCD008337607-trifluoromethyl quinoline7-trifluoromethyl-quinolineSCHEMBL1750585AKOS005063707CS-W010570SB67482

Show more names

7-TrrfluoromethylquinolineQuinoline, 7-(trifluoromethyl)-7-(Trifluoromethyl)quinoline,97%

7-TrifluoromethylquinolineMS-20029FT-0631955A821309quinoline, 7-trifluoromethyl-SCHEMBL406456SCHEMBL946296orb3022970

Database identifiers

CAS: 325-14-4
PubChem CID: 459614
DTXSID: DTXSID90332685
EC Number: 681-798-3
Nikkaji: J489.771D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 202

Experimental & physicochemical properties

LogP3.02

Physicochemical properties

Melting point: 65 · 65-67°C
Boiling point: 236.6 ℃ · 236.6℃ (762 Torr)
Density: 1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.55 · 2.55±0.14(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 325 · 325-14-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.