1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-one
Basic information
- CAS
351002-89-6- Standard SMILES
Nc1ccccc1C(=O)C(F)(F)F- InChIKey
ZJPHDPZUAINCNU-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO
- Average molar mass
- 189.13 g/mol
- Monoisotopic mass
- 189.0401483
Names & identifiers
- Preferred name
- 1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-one
- IUPAC
- 1-(2-aminophenyl)-2,2,2-trifluoroethanone
- English name
- Ethanone, 1-(2-aminophenyl)-2,2,2-trifluoro- (9CI)
- Molecular formula
- C8H6F3NO
- Molecular weight
- 189.13
Names & synonyms
351002-89-61-(2-aminophenyl)-2,2,2-trifluoroethanone1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-oneDTXSID80624182RefChem:421510DTXCID80574936807-799-22'-Amino-2,2,2-trifluoroacetophenone1-(2-Amino-phenyl)-2,2,2-trifluoro-ethanoneMFCD09863840Ethanone, 1-(2-aminophenyl)-2,2,2-trifluoro-Ethanone, 1-(2-aminophenyl)-2,2,2-trifluoro- (9CI)
Show more names
1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-one - [A92627]
1-(2-AMINOPHENYL)-2,2,2-TRIFLUORO-ETHANONESCHEMBL3037744SCHEMBL6792736SCHEMBL8856874SCHEMBL30371054ZJPHDPZUAINCNU-UHFFFAOYSA-N2-(Trifluoroacetyl)aniline, 1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-oneAKOS009167968
Database identifiers
- CAS
351002-89-6- PubChem CID
- 22273690
- DTXSID
DTXSID80624182- EC Number
- 807-799-2
- Nikkaji
- J1.856.810A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Light yellow to green yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2922290090 · 2922290090
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
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Compound notes
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