4-Nitro-isatoic anhydride

C₈H₄N₂O₅CAS 63480-10-4208.13 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₈H₄N₂O₅
Molar mass: 208.13 g/mol
Exact mass: 208.0120 Da
logP: 0.39Crippen estimate
Polar surface area: 106.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63480-10-4

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)OC2=O

InChIKey

KCNIWFFVWBXWAV-UHFFFAOYSA-N

InChI

InChI=1S/C8H4N2O5/c11-7-5-2-1-4(10(13)14)3-6(5)9-8(12)15-7/h1-3H,(H,9,12)

Weigh it out

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

Work with 4-Nitro-isatoic 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

2-Nitrocarbazole14191-22-155 % similar 4-Chloroisatoic anhydride40928-13-055 % similar 4-Carboxylic-isatoic anhydride77423-14-449 % similar 2-Amino-5-nitrobenzimidazole6232-92-447 % similar 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole327-19-545 % similar 6-Nitro-benzooxazole-2-thiol14541-93-645 % similar 2-Mercapto-5-nitrobenzimidazole6325-91-345 % similar 1,3-Dihydro-5-nitro-2H-benzimidazol-2-one93-84-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Nitroisatoic anhydride4693-02-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook