Basic information
- CAS
327085-04-1- Standard SMILES
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCCC2=O- InChIKey
AKKHAWKRXWNILC-UHFFFAOYSA-N- Molecular formula
- C16H14F3NO
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.10274856
Names & identifiers
- Preferred name
- 2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one
- IUPAC
- 2-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indol-4-one
- English name
- 2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one
- Molecular formula
- C16H14F3NO
- Molecular weight
- 293.28
Names & synonyms
2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one327085-04-12-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indol-4-oneCNA08504AKOS008966497EN300-59389G21062Z567906344H-Indol-4-one, 1,5,6,7-tetrahydro-2-methyl-1-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
327085-04-1- PubChem CID
- 2321980
- EC Number
- 156-671-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 404.7 · 404.7±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -6.43 · -6.43±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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