4-Nitrobenzoic anhydride
Basic information
- CAS
902-47-6- Standard SMILES
O=C(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
JYMVSZGJZRQOFY-UHFFFAOYSA-N- Molecular formula
- C14H8N2O7
- Average molar mass
- 316.22 g/mol
- Monoisotopic mass
- 316.0331506
Overview
See also: 4-nitro-1,1'-anhydrideBenzoic acid (annotation moved to).
Names & identifiers
- Preferred name
- 4-Nitrobenzoic anhydride
- IUPAC
- (4-nitrobenzoyl) 4-nitrobenzoate
- English name
- 4-Nitrobenzoic anhydride
- Molecular formula
- C14H8N2O7
- Molecular weight
- 316.22
Names & synonyms
4-nitrobenzoic anhydrideDTXSID90301932RefChem:1071293DTXCID70253066902-47-6(4-nitrobenzoyl) 4-nitrobenzoatep-Nitrobenzoic acid anhydrideBenzoic acid, 4-nitro-, anhydridep-nitrobenzoic anhydride4-Nitrophenyl anhydride #SCHEMBL254773p-Nitro-benzoic acid anhydride
Show more names
4-Nitrophenyl anhydrideBenzoic acid, 4-nitro-, 1,1'-anhydride(4-nitrophenyl)carbonyl 4-nitrobenzoate4-nitrobenzoic acid (4-nitrobenzoyl) ester
JYMVSZGJZRQOFY-UHFFFAOYSA-NMFCD00185124NSC147485AKOS003235724FN35875NSC-147485
Database identifiers
- CAS
902-47-6- PubChem CID
- 287440
- DTXSID
DTXSID90301932- Nikkaji
- J587.279K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 195 · 195-195.5 °C
- Boiling point
- 542.3 · 542.3±35.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- InChI
- 1S/C14H8N2O7/c17-13(9-1-5-11(6-2-9)15(19)20)23-14(18)10-3-7-12(8-4-10)16(21)22/h1-8H
- SMILES
- O=C(OC(C1=CC=C([N+]([O-])=O)C=C1)=O)C2=CC=C([N+]([O-])=O)C=C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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