Basic information
- CAS
2340-57-0- Standard SMILES
CN(C)CCCC1(O)c2ccccc2Sc2ccc(C(F)(F)F)cc21- InChIKey
QWIVUCLTMDQHOY-UHFFFAOYSA-N- Molecular formula
- C19H20F3NOS
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.12176992
Names & identifiers
- Preferred name
- 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol
- IUPAC
- 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol
- English name
- 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol
- Molecular formula
- C19H20F3NOS
- Molecular weight
- 367.4284096
Names & synonyms
EINECS 219-054-39-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol9-[3-(DIMETHYLAMINO)PROPYL]-2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-OL9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)-9H-thioxanthen-9-olRefChem:549085219-054-32340-57-0Flupentixol EP Impurity A9-(3-Dimethylaminopropyl)-2-(Trifluoromethyl)Thioxanthen-9-Ol(9RS)-9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-9H-thioxanthen-9-ol2TWB29H8AC
Show more names
9-[3-(Dimethylamino)propyl]-2-trifluoromethyl-9H-thioxanthen-9-ol
SCHEMBL27967051DTXSID10946061Flupentixol EP Impurity A EnantiomerNS00049423FLUPENTIXOL DIHYDROCHLORIDE IMPURITY A [EP IMPURITY]9H-Thioxanthen-9-ol, 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Melting point
- 116 · 116-118 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 430.3 · 430.3±45.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- REACH Registrations
- Active
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol (EC: 219-054-3)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers13 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
广州安励合生物科技有限公司13928234501 18098185186 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
长春澜江医药科技有限公司18004466855 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
北京爱科姆科技有限公司17710328343 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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