6-Fluoro-2-methylquinolin-4-ol
Basic information
- CAS
15912-68-2- Standard SMILES
Cc1cc(=O)c2cc(F)ccc2[nH]1- InChIKey
BKXCHVFCJZJATJ-UHFFFAOYSA-N- Molecular formula
- C10H8FNO
- Average molar mass
- 177.17 g/mol
- Monoisotopic mass
- 177.05899204
Overview
6-Fluoro-2-methylquinolin-4-ol is a quinolone and an organofluorine compound.
Names & identifiers
- Preferred name
- 6-Fluoro-2-methylquinolin-4-ol
- IUPAC
- 6-fluoro-2-methyl-1H-quinolin-4-one
- English name
- 6-Fluoro-4-hydroxy-2-methylquinoline
- Molecular formula
- C10H8FNO
- Molecular weight
- 177.18
Names & synonyms
6-Fluoro-2-methylquinolin-4-ol15912-68-26-Fluoro-2-methyl-4-quinolinolEINECS 240-054-4DTXSID60166590RefChem:543145DTXCID3089081240-054-46-Fluoro-2-methylquinolin-4(1H)-one389635-71-66-Fluoro-4-hydroxy-2-methylquinoline4-Quinolinol, 6-fluoro-2-methyl-
Show more names
AURORA 197336-FLUORO-4-HYDROXYQUINALDINE6-fluoro-2-methyl-4-quinolone6-fluoro-2-methylquinoline-4-ol6-Fluoro-2-methyl-4-quinolinol>6-Fluoro-2-methylquinolin-4(1H)-one
6-fluoro-2-methyl-1H-quinolin-4-oneMFCD000414426-fluoranyl-2-methyl-quinolin-4-olCHEMBL52200896-luoro-2-methyl-1H-quinolin-4-oneAKOS0022583606-Fluoro-2-methyl-quinolin-4-olKUC100220
Database identifiers
- CAS
15912-68-2- PubChem CID
- 85184
- DTXSID
DTXSID60166590- ChEMBL
CHEMBL5220089- ChEBI
CHEBI:194805- UNII
- QP786RUY2L
- EC Number
- 240-054-4
- Nikkaji
- J219.900I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 273 · 273-277 °C(lit.)
- Boiling point
- 316.7 · 316.7±37.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.22 · 4.22±0.40(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1526996 · 1526996
- InChI
- 1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
- InChIKey
- BKXCHVFCJZJATJ-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)c2cc(F)ccc2n1
- CAS DataBase Reference
- 15912 · 15912-68-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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 40 reports by companies from 3 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
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- 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
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 6-Fluoro-2-methylquinolin-4-ol is a quinolone and an organofluorine compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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