Bis(4-methoxy-3-nitrophenyl)methanone
Basic information
- CAS
100881-20-7- Standard SMILES
COc1ccc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]- InChIKey
BDOHQEPUDCPQMJ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O7
- Average molar mass
- 332.26 g/mol
- Monoisotopic mass
- 332.06445073
Names & identifiers
- Preferred name
- Bis(4-methoxy-3-nitrophenyl)methanone
- IUPAC
- bis(4-methoxy-3-nitrophenyl)methanone
- English name
- bis(4-methoxy-3-nitrophenyl)methanone
- Molecular formula
- C15H12N2O7
- Molecular weight
- 332.27
Names & synonyms
bis(4-methoxy-3-nitrophenyl)methanone100881-20-7Methanone, bis(4-methoxy-3-nitrophenyl)-NSC505715Oprea1_766728SCHEMBL3824914DTXSID50325412BDOHQEPUDCPQMJ-UHFFFAOYSA-NSTK834025AKOS001482645NSC-5057153,3'-dinitro-4,4'-dimethoxybenzophenone
Show more names
BIS-(4-METHOXY-3-NITRO-PHENYL)-METHANONE
Database identifiers
- CAS
100881-20-7- PubChem CID
- 350044
- DTXSID
DTXSID50325412- EC Number
- 114-041-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Boiling point
- 544.1 · 544.1±50.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, 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 CategoriesEye Dam. 1 (100%)
Related reactions
2 records
Compound notes
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