Basic information
- CAS
318-54-7- Standard SMILES
Cn1cc(C(=O)C(F)(F)F)c2ccccc21- InChIKey
ICMIXFPYWFUAAL-UHFFFAOYSA-N- Molecular formula
- C11H8F3NO
- Average molar mass
- 227.18 g/mol
- Monoisotopic mass
- 227.05579854
Names & identifiers
- Preferred name
- 1-Methyl-3-(trifluoroacetyl)-1H-indole
- IUPAC
- 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone
- English name
- 1-Methyl-3-(trifluoroacetyl)-1H-indole
- Molecular formula
- C11H8F3NO
- Molecular weight
- 227.18
Names & synonyms
1-Methyl-3-(trifluoroacetyl)-1H-indoleRefChem:434188899-791-0318-54-72,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-oneMFCD025712162,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanoneSMR0001799542,2,2-trifluoro-1-(1-methyl-3-indolyl)ethanoneMLS000546556SCHEMBL3005876
Show more names
N-methyl-3-trifluoroacetylindole2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanolEthanone, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone - [T86469]
SCHEMBL6021109CHEMBL14942122,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-1-ethanoneDTXSID20393300Ethanone,2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-HMS2306K131-Methylindole, 3-trifluoroacetyl-SBB097106
Database identifiers
- CAS
318-54-7- PubChem CID
- 3524388
- DTXSID
DTXSID20393300- ChEMBL
CHEMBL1494212- EC Number
- 899-791-0
- Nikkaji
- J1.032.163H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 299.8 · 299.8±35.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Sensitive
- Light Sensitive
- CAS DataBase Reference
- 318 · 318-54-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
6 records
Compound notes
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