chempirical

Isophthalic dihydrazide

C8H10N4O2CAS 2760-98-7194.19 g/mol

Open in Covalent MOL file
H2NNHOOHNNH2
HydrazonePrimary amine

Properties

Molecular formula
C8H10N4O2
Molar mass
194.19 g/mol
Exact mass
194.0804 Da
Melting point
226–230 °C
logP
0.04Crippen estimate
Polar surface area
117.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 57 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
2760-98-7
SMILES
NN=C(O)c1cccc(C(O)=NN)c1
InChIKey
UTTHLMXOSUFZCQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)

Weigh it out

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

Names and synonyms

12 names
  • 1,3-Benzenedicarboxylic acid, 1,3-dihydrazide
  • Isophthalic acid, dihydrazide
  • 1,3-Benzenedicarboxylic acid, dihydrazide
  • 417
  • Isophthalic acid hydrazide
  • Isophthalyl dihydrazide
  • 1,3-Phenylenebiscarbohydrazide
  • Isophthalic hydrazide
  • Isophthaloyl hydrazide
  • Isophthaloyl dihydrazide
  • NSC 75606
  • IDH-S

Work with Isophthalic dihydrazide

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

M-Aminobenzhydrazide14062-34-175 % similar 3-Chlorobenzohydrazide1673-47-875 % similar 3-Bromobenzoic acid hydrazide39115-96-375 % similar m-Fluorobenzoic acid hydrazide499-55-875 % similar 3-Hydroxybenzohydrazide5818-06-475 % similar 3-Methylbenzohydrazide13050-47-072 % similar Benzoylhydrazine613-94-572 % similar 3-Methoxybenzohydrazide5785-06-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Terephthalic dihydrazide136-64-1 Caffeine58-08-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook