5-Aminoisatoic anhydride
Properties
- Molecular formula
- C8H6N2O3
- Molar mass
- 178.15 g/mol
- Exact mass
- 178.0378 Da
- logP
- 0.06Crippen estimate
- Polar surface area
- 89.1 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed97.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction97.5% of notifiers
- H318 Causes serious eye damage97.5% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
169037-24-5SMILES
C1=CC2=C(C=C1N)C(=O)OC(=O)N2InChIKey
QEQDLBKVHJXPJA-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Aminoisatoic anhydride
Similar compounds
5-Hydroxy isatoic anhydride195986-91-562 % similar
5-Fluoroisatonic anhydride321-69-762 % similar
5-Bromoisatoic anhydride4692-98-262 % similar
3,6-Diaminocarbazole86-71-553 % similar
4-Chloroisatoic anhydride40928-13-050 % similar
6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-649 % similar
4-Nitro-isatoic anhydride63480-10-444 % similar
4-Carboxylic-isatoic anhydride77423-14-444 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.