Basic information
- CAS
363-17-7- Standard SMILES
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(F)(F)F- InChIKey
XPHPBNGAXWJHHP-UHFFFAOYSA-N- Molecular formula
- C15H10F3NO
- Average molar mass
- 277.24 g/mol
- Monoisotopic mass
- 277.07144843
Names & identifiers
- Preferred name
- 2-(2,2,2-Trifluoroacetamido)fluorene
- IUPAC
- N-(9H-fluoren-2-yl)-2,2,2-trifluoroacetamide
- English name
- 2-TRIFLUOROACETYLAMINOFLUORENE
- Molecular formula
- C15H10F3NO
- Molecular weight
- 277.24
Names & synonyms
N-9H-fluoren-2-yl-2,2,2-trifluoroacetamide2-(2,2,2-Trifluoroacetamido)fluoreneRefChem:451573632-237-6363-17-7N-(2-Fluorenyl)-2,2,2-trifluoroacetamideN-(9H-Fluoren-2-yl)-2,2,2-trifluoroacetamide2-TrifluoroacetylaminofluoreneN-Fluoren-2-yl-2,2,2-trifluoroacetamide2,2,2-Trifluoro-N-(fluoren-2-yl)acetamideDTXSID3020629ACETAMIDE, N-FLUOREN-2-YL-2,2,2-TRIFLUORO-
Show more names
ACETAMIDE,N-FLUOREN-2-YL-2,2,2-TRIFLUORO-6-Methyl-5,10-Pregnadien -3beta-Ol-20-On-Acetate
Acetamide, N-9H-fluoren-2-yl-2,2,2-trifluoro-454X3J3CX8NSC-122832-((Trifluoroacetyl)amino)fluorene2-[(Trifluoroacetyl)amino]fluoreneNSC 12283BRN 28141312-Aminofluorene, TFA
Database identifiers
- CAS
363-17-7- PubChem CID
- 9690
- DTXSID
DTXSID3020629- ChEMBL
CHEMBL82129- UNII
- 454X3J3CX8
- EC Number
- 632-237-6
- Nikkaji
- J33.421I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Collision Cross Section160.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3020629]
Physicochemical properties
- Melting point
- 172 · 172-173 °C(Solv: ethanol (64-17-5))
- Boiling point
- 160 °C · 160 °C(Press: 0.001 Torr)
- Density
- 1.3079 · 1.3079 (estimate)
- pka
- 9.82 · 9.82±0.20(Predicted)
- FDA UNII
- 454 X3J3CX8 · 454X3J3CX8
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H351-H332-H302
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H312-H351-H332-H302
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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