Basic information
- CAS
949507-83-9- Standard SMILES
O=c1cc(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc12- InChIKey
JIWHKBAFGFPZKM-UHFFFAOYSA-N- Molecular formula
- C11H5F6NO
- Average molar mass
- 281.15 g/mol
Names & identifiers
- Preferred name
- 2,8-Bis(trifluoromethyl)quinolin-4-ol
- IUPAC
- 2,8-bis(trifluoromethyl)-1H-quinolin-4-one
- English name
- 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline
- Molecular formula
- C11H5F6NO
- Molecular weight
- 281.15
Names & synonyms
2,8-Bis(trifluoromethyl)-4-hydroxyquinoline2,8-Bis(trifluoromethyl)quinolin-4-ol2,8-bis(trifluoromethyl)-4-quinolinol4-Quinolinol, 2,8-bis(trifluoromethyl)-VO1XSY74EWEINECS 252-762-0UNII-VO1XSY74EW4-Hydroxy-2,8-bis(trifluoromethyl)quinolineDTXSID20189402RefChem:83565DTXCID10111893252-762-0
Show more names
4(1H)-Quinolinone, 2,8-bis(trifluoromethyl)-
35853-41-92,8-bis(trifluoromethyl)-1H-quinolin-4-one2,8-Bis(trifluoromethyl)quinolin-4(1H)-one949507-83-9MFCD00075091C11H5F6NOCC-PMLSC-DMA-P104MLS000889059
Database identifiers
- CAS
949507-83-9- ChEMBL
CHEMBL1312885- UNII
- VO1XSY74EW
- EC Number
- 252-762-0
- Nikkaji
- J319.548A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Boiling point
- 238 · 238.0±40.0 °C(Predicted)
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- pka
- -2.61 · -2.61±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
This chemical does not meet GHS hazard criteria for 19% (11 of 58) of reports.
Warning
H315 (79.3%): 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 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 01-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19945
Hazard Classes and CategoriesSkin Irrit. 2 (79.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers8 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
武汉赢元贝商贸有限公司13349903920 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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