4-Chloro-8-(trifluoromethyl)quinoline

HCID 90262CAS 23779-97-7

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1cccc2c(Cl)ccnc12
InChIKey: LINGICLAECZKAW-UHFFFAOYSA-N
Molecular formula: C10H5ClF3N
Average molar mass: 231.6 g/mol
Monoisotopic mass: 231.0062615

Names & identifiers

Preferred name: 4-Chloro-8-(trifluoromethyl)quinoline
IUPAC: 4-chloro-8-(trifluoromethyl)quinoline
English name: 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE
Molecular formula: C10H5ClF3N
Molecular weight: 231.6

Names & synonyms

4-Chloro-8-(trifluoromethyl)quinoline23779-97-7RP9B5YHT9MQuinoline, 4-chloro-8-(trifluoromethyl)-EINECS 245-880-9DTXSID70178467RefChem:98507DTXCID00100958245-880-9MFCD001345784-chloro-8-trifluoromethyl-quinoline4-chloro-8-trifluoromethylquinoline

Show more names

BUTTPARK 14\09-644-Chloro-8-(trifluoroMethyl)quinolline4-Chloro-8-(trifluoromethyl)quinoline98%4-Chloro-8-(trifluoromethyl)quinoline 98%4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE, 9 7%4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE ISO 9001：2015 REACH

BBL0119174-chloro,8-(trifluoromethyl)quinolineAS-63305SY106397CS-0099328C916954-chloro-8-(trifluoromethyl)-quinolineAMY37160

Database identifiers

CAS: 23779-97-7
PubChem CID: 90262
DTXSID: DTXSID70178467
UNII: RP9B5YHT9M
EC Number: 245-880-9
Nikkaji: J242.680C

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Physicochemical properties

Melting point: 80 · 80-82 °C(lit.)
Boiling point: 265.5 · 265.5±35.0 °C(Predicted)
Density: 1.427 · 1.427±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Methanol
form: Solid
pka: 1.3 · 1.30±0.30(Predicted)
color: Brown
Water Solubility: Low solubility in water.
CAS DataBase Reference: 23779 · 23779-97-7(CAS DataBase Reference)
FDA UNII: 9 B5YHT9M · RP9B5YHT9M
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29334900 · 29334900

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29334900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-Chloro-8-(trifluoromethyl)quinoline is used as a reagent for the potent CRTh2 (DP2) receptor antagonists discovery which is used for treatment of asthma, allergic rhinitis and other inflammatory diseases.