Basic information
- CAS
65673-93-0- Standard SMILES
O=c1c(Cl)c[nH]c2cc(C(F)(F)F)ccc12- InChIKey
KMRLVUZYOOBTFZ-UHFFFAOYSA-N- Molecular formula
- C10H5ClF3NO
- Average molar mass
- 247.6 g/mol
- Monoisotopic mass
- 247.001176
Names & identifiers
- Preferred name
- 3-Chloro-7-(trifluoromethyl)quinolin-4-ol
- IUPAC
- 3-chloro-7-(trifluoromethyl)-1H-quinolin-4-one
- English name
- 3-Chloro-7-trifluoromethylquinolin-4-ol
- Molecular formula
- C10H5ClF3NO
- Molecular weight
- 247.6
Names & synonyms
65673-93-03-Chloro-7-(trifluoromethyl)quinolin-4-ol3-CHLORO-7-TRIFLUOROMETHYLQUINOLIN-4-OL3-Chloro-4-hydroxy-7-(trifluoromethyl)quinoline3-chloro-7-(trifluoromethyl)-1H-quinolin-4-one3-Chloro-4-hydroxy-7-trifluoromethylquinolineDTXSID00495154MFCD07644518SB70480SY2794433-Chloro-7-(trifluoromethyl)-4-quinolinol3-Chloro-7-(trifluoromethyl)quinolin-4(1H)-one
Show more names
4-Quinolinol, 3-chloro-7-(trifluoromethyl)-
Database identifiers
- CAS
65673-93-0- PubChem CID
- 12376850
- DTXSID
DTXSID00495154
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 329 °C · 329 °C
- Boiling point
- 307.6 · 307.6±37.0 °C(Predicted)
- Density
- 1.541 · 1.541±0.06 g/cm3(Predicted)
- pka
- 1.16 · 1.16±0.50(Predicted)
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
Chemistry & industry
Suppliers2 total
苏州康润医药有限公司0512-63913329 18962555590 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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