Basic information
- CAS
42135-38-6- Standard SMILES
NC(=O)c1cccc2c1-c1ccccc1C2=O- InChIKey
PRROCNFTWSJBTJ-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 9-Oxo-4-fluorenecarboxamide
- IUPAC
- 9-oxofluorene-4-carboxamide
- English name
- 9-Oxo-9H-fluorene-4-carboxamide
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
9-OXO-4-FLUORENECARBOXAMIDERefChem:549873665-867-59-Oxo-9H-fluorene-4-carboxamide42135-38-69-oxofluorene-4-carboxamideCHEMBL5219398NSC168935Maybridge1_002557Oprea1_812996DivK1c_001309orb3170065
Show more names
Compound Fr133739-FLUORENONE-4-CARBOXAMIDE4-Carbamoyl-9H-fluoren-9-one9-fluorenone-4-carbonyl amide9H-Fluorene-4-carboxamide, 9-oxo-
SCHEMBL4930390HMS548M05DTXSID20305064PRROCNFTWSJBTJ-UHFFFAOYSA-NFr13373BDBM50607321AKOS003619027CCG-233163
Database identifiers
- CAS
42135-38-6- PubChem CID
- 297677
- DTXSID
DTXSID20305064- ChEMBL
CHEMBL5219398- EC Number
- 665-867-5
- Nikkaji
- J3.548.172I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 231 · 231-233°C
- Boiling point
- 453 · 453.0±24.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- 15.24 · 15.24±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HS Code
- 2924297099 · 2924297099
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
2 records
Compound notes
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