Bis(3-nitrophenyl)methane
Basic information
- CAS
4164-43-6- Standard SMILES
O=[N+]([O-])c1cccc(Cc2cccc([N+](=O)[O-])c2)c1- InChIKey
PEZWBZASSSYMTG-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- Bis(3-nitrophenyl)methane
- IUPAC
- 1-nitro-3-[(3-nitrophenyl)methyl]benzene
- English name
- 1-nitro-3-[(3-nitrophenyl)methyl]benzene
- Molecular formula
- C13H10N2O4
- Molecular weight
- 258.2295
Names & synonyms
Bis(3-nitrophenyl)methaneRefChem:568861659-648-31,1'-methanediylbis(3-nitrobenzene)4164-43-61,1'-methylenebis(3-nitrobenzene)1-nitro-3-[(3-nitrophenyl)methyl]benzeneNSC87357NCIOpen2_005170SCHEMBL10918542SCHEMBL11286333SCHEMBL14880346
Show more names
DTXSID00293132NSC-87357AKOS024340551SR-01000198752SR-01000198752-1
Database identifiers
- CAS
4164-43-6- PubChem CID
- 258443
- DTXSID
DTXSID00293132- EC Number
- 659-648-3
- Nikkaji
- J1.516.700I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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