8-FLUORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE
- Iupac Name：8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
- CAS No.: 31009-31-1
- Molecular Weight：231.15
- Modify Date.: 2022-11-25 04:30
1. Names and Identifiers
- 1.1 Name
- 8-FLUORO-4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE
- 1.2 Synonyms
4-Quinolinol, 6-fluoro-2-(trifluoromethyl)- 4-Quinolinol, 8-fluoro-2-(trifluoromethyl)- 6-Fluoro-2-(trifluoromethyl)-4-quinolinol 6-fluoro-2-(trifluoromethyl)quinolin-4-ol 8-Fluor-2-trifluormethylchinolin-4-ol 8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one 8-Fluoro-2-(trifluoromethyl)-4-quinolinol 8-fluoro-2-(trifluoromethyl)-4-quinolinolate 8-FLUORO-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL 8-Fluoro-4-hydro-2-(trifluoromethyl)quinoline BUTTPARK 91\04-30 MFCD00276580
- 1.3 CAS No.
- 31009-31-1
- 1.4 CID
- 2737339
- 1.5 Molecular Formula
- C10H5F4NO (isomer)
- 1.6 Inchi
- InChI=1S/C10H5F4NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
- 1.7 InChkey
- UQFKMXKVHWMPPC-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC2=C(C(=C1)F)NC(=CC2=O)C(F)(F)F
- 1.9 Isomers Smiles
- C1=CC2=C(C(=C1)F)NC(=CC2=O)C(F)(F)F
2. Properties
- 2.1 Density
- 1.468
- 2.1 Melting point
- 110-115℃
- 2.1 Boiling point
- 220°C at 760 mmHg
- 2.1 Refractive index
- 1.5
- 2.1 Flash Point
- 86.8°C
- 2.1 Precise Quality
- 231.03100
- 2.1 PSA
- 33.12000
- 2.1 logP
- 3.09830
- 2.1 Storage
- Ambient temperatures.
- 2.2 pKa
- 6.40±0.40(Predicted)
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- S26;S37/39
- 3.1 Safety
-
Hazard Codes of 8-Fluoro-2-(trifluoromethyl)quinolin-4-ol (CAS NO.31009-31-1): 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
31009-31-1Total: 1 Synthesis Route
7. Computational chemical data
- Molecular Weight: 231.15g/mol
- Molecular Formula: C10H5F4NO
- Compound Is Canonicalized: True
- XLogP3-AA: 2.6
- Exact Mass: 231.03072643
- Monoisotopic Mass: 231.03072643
- Complexity: 336
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 29.1
- Heavy Atom Count: 16
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYByIcAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHwAQAAAADAyBmBgwwILAAACIAqRSQACCAAAlAgAIiAEARMgIIDrAlZGEIYhggADIyccYiICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
8. Recommended Suppliers
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
- Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
- Tel:+86-571-82512721
- Email:sales@zeerrui.com
-
- Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
- Tel:86-25-83697070
- Email:sales@chemlin.com.cn
-
- Products:API & API intermediates
- Tel:86-21-33758180
-
- Products:3-Fluoro-isonicotinic acid,Osmium tetroxide,Mafenide Hcl,3-Bromopentane,2-Phenylacetoacetonitrile,OSMIUM
- Tel:86-755-33239182
9. Realated Product Infomation
skype
12YRS
