Basic information
- CAS
2875066-35-4- Standard SMILES
COc1c(C2=C(C)[C@](C)(C(F)(F)F)OC2=O)ccc(F)c1F- InChIKey
NAJSQFOELXBZPY-CYBMUJFWSA-N- Molecular formula
- C14H11F5O3
- Average molar mass
- 322.23 g/mol
- Monoisotopic mass
- 322.06283502
Names & identifiers
- Preferred name
- (5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
- IUPAC
- (5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
- English name
- 2(5H)-Furanone, 3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)-, (5R)-
- Molecular formula
- C14H11F5O3
- Molecular weight
- 322.23
Names & synonyms
2875066-35-4(5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-oneRefChem:404385957-069-3(5R)-3-(3,4-Difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)-2(5H)-furanone(R)-3-(3,4-Difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2(5H)-oneSCHEMBL24780449SCHEMBL30119609YQF2535DB-372346H50176Sutezolid intermediate
Show more names
Suzetrigine Impurity 1992(5H)-Furanone, 3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)-, (5R)-
Database identifiers
- CAS
2875066-35-4- PubChem CID
- 166159262
- EC Number
- 957-069-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 381.8 · 381.8±42.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C14H11F5O3/c1-6-9(12(20)22-13(6,2)14(17,18)19)7-4-5-8(15)10(16)11(7)21-3/h4-5H,1-3H3/t13-/m1/s1
- InChIKey
- NAJSQFOELXBZPY-CYBMUJFWSA-N
- SMILES
- O1[C@@](C)(C(F)(F)F)C(C)=C(C2=CC=C(F)C(F)=C2OC)C1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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: (5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one (EC: 957-069-3)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers80 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
山东艾斯曼新材料有限公司13698626386 13698626386 · [email protected]
上海华恩医药科技有限公司+86-13681955282 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京正济医药研究有限公司0512-62750571 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
安庆多辉生物科技有限公司19121697802 · [email protected]
上海萃森医药科技有限公司13472757003 17721485422 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
山东君泰药业有限公司15901008306 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…