4-Chloroisatoic anhydride

C₈H₄ClNO₃CAS 40928-13-0197.57 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₄ClNO₃
Molar mass: 197.57 g/mol
Exact mass: 196.9880 Da
logP: 1.13Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40928-13-0

SMILES

C1=CC2=C(C=C1Cl)NC(=O)OC2=O

InChIKey

QRUPDIJQZCABTC-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)

Weigh it out

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

Names and synonyms

1 names

4-Chloro-isatoic anhydride

Work with 4-Chloroisatoic 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

4-Nitro-isatoic anhydride63480-10-455 % similar 4-Carboxylic-isatoic anhydride77423-14-455 % similar 5-Aminoisatoic anhydride169037-24-550 % similar 5-Hydroxy isatoic anhydride195986-91-550 % similar 5-Fluoroisatonic anhydride321-69-750 % similar 5-Bromoisatoic anhydride4692-98-250 % similar 6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-649 % similar 2-Chloro-9H-carbazole10537-08-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloroisatoic anhydride4743-17-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook