Basic information
- CAS
136622-67-8- Standard SMILES
CN1C(=O)C(=O)c2cccc(C(F)(F)F)c21- InChIKey
JAXOXOOOXCOXAN-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO2
- Average molar mass
- 229.15 g/mol
- Monoisotopic mass
- 229.03506292
Names & identifiers
- Preferred name
- 1-methyl-7-(trifluoromethyl)-1H-indole-2,3-dione
- IUPAC
- 1-methyl-7-(trifluoromethyl)indole-2,3-dione
- English name
- 1-METHYL-7-(TRIFLUOROMETHYL)-1H-INDOLE-2,3-DIONE
- Molecular formula
- C10H6F3NO2
- Molecular weight
- 229.16
Names & synonyms
136622-67-81-methyl-7-(trifluoromethyl)-1H-indole-2,3-dione1-Methyl-7-(trifluoromethyl)indoline-2,3-dioneMFCD090283061H-Indole-2,3-dione, 1-methyl-7-(trifluoromethyl)-1-methyl-7-(trifluoromethyl)indole-2,3-dione1-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione1-methyl-7-(trifluoromethyl)benzo[d]azoline-2,3-dioneSCHEMBL9175289JAXOXOOOXCOXAN-UHFFFAOYSA-N1-methyl-7-(trifluoromethyl)isatinALBB-015043
Show more names
ZERO/009063SBB014774STK692705AKOS005175008SB64760LS-04777DB-375424ST4142122
Database identifiers
- CAS
136622-67-8- PubChem CID
- 16766610
- Nikkaji
- J3.009.572C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 298.2 · 298.2±50.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- -4.46 · -4.46±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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