4-Nitrophthalic anhydride

C8H3NO5CAS 5466-84-2193.11 g/mol

Open in Covalent MOL file
OOON+OO−
Acid anhydrideNitro

Properties

Molecular formula
C8H3NO5
Molar mass
193.11 g/mol
Exact mass
193.0011 Da
Density
1.441 g/mL (at 25 °C)
Melting point
114 °C
Water solubility
10–50 g/L (21.1 °C)
logP
0.91Crippen estimate
Polar surface area
86.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5466-84-2
SMILES
O=C1OC(=O)c2cc([N+](=O)[O-])ccc21
InChIKey
MMVIDXVHQANYAE-UHFFFAOYSA-N
InChI
InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 1,3-Isobenzofurandione, 5-nitro-
  • Phthalic anhydride, 4-nitro-
  • 5-Nitro-1,3-isobenzofurandione
  • 4-Nitrophthalic acid anhydride
  • 5-Nitrophthalic anhydride
  • 5-Nitroisobenzofuran-1,3-dione
  • NSC 26424

Work with 4-Nitrophthalic anhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 4-nitrophthalate610-22-074 % similar 6-Nitrophthalide610-93-559 % similar 5-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione3027-38-159 % similar 4-Nitrophthalic acid610-27-557 % similar Methyl 2-methyl-4-nitrobenzoate62621-09-456 % similar Methyl 2-methyl-5-nitrobenzoate77324-87-956 % similar 2,7-Dinitro-9-fluorenone31551-45-856 % similar Methyl 2-bromo-4-nitrobenzoate100959-22-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrophthalic anhydride641-70-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook