4-Chloro-2,8-bis(trifluoromethyl)quinoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
83012-13-9- Standard SMILES
FC(F)(F)c1cc(Cl)c2cccc(C(F)(F)F)c2n1- InChIKey
ZSQOESPYYNJBCZ-UHFFFAOYSA-N- Molecular formula
- C11H4ClF6N
- Average molar mass
- 299.6 g/mol
- Monoisotopic mass
- 298.9936458
Names & identifiers
- Preferred name
- 4-Chloro-2,8-bis(trifluoromethyl)quinoline
- IUPAC
- 4-chloro-2,8-bis(trifluoromethyl)quinoline
- English name
- 2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE
- Molecular formula
- C11H4ClF6N
- Molecular weight
- 299.6
Names & synonyms
83012-13-94-Chloro-2,8-bis(trifluoromethyl)quinolineEINECS 280-132-5DTXSID20232129RefChem:98329DTXCID70154620280-132-52,8-Bis(trifluoromethyl)-4-chloroquinoline4-Chloro-2,8-bis-trifluoromethylquinolineMFCD00075104Quinoline, 4-chloro-2,8-bis(trifluoromethyl)-SCHEMBL1258312
Show more names
BUTTPARK 147\04-114-CHLORO-2,8-DI(TRIFLUOROMETHYL)QUINOLINE4-Chloro-2,8-bis(trifluoromethyl)quinolone2,8-Bis(trifluoromethyl)-4-chloroquinoline97%4-Chloro-2,8-bis(trifluoromethyl)quinoline,97%4-CHLORO-2 8-BIS(TRIFLUOROMETHYL)QUINOLINE 97%2,8-Bis(trifluoromethyl)-4-chloroquinoline 97%
6-Chloro-2,8-bis(trifluoromethyl)quinolineAMY143484-Chloro-2,8-bis-trifluoromethyl-quinolineFT-06107604-Chloro-2,8-bis-trifluoromethylCS-D0693AKOS005259145AB02852
Database identifiers
- CAS
83012-13-9- PubChem CID
- 2733247
- DTXSID
DTXSID20232129- EC Number
- 280-132-5
- Nikkaji
- J278.733D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 46 · 46-48 °C (lit.)
- Boiling point
- 148 · 148-152 °C(Press: 18 Torr)
- Density
- 1.5242 · 1.5242 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.49 · -3.49±0.50(Predicted)
- form
- Crystalline Powder
- color
- Beige
- InChI
- 1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
- InChIKey
- ZSQOESPYYNJBCZ-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F
- CAS DataBase Reference
- 83012 · 83012-13-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 41 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives.
General Description4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
Loading…