Luminol

C₈H₇N₃O₂CAS 521-31-3177.16 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₈H₇N₃O₂
Molar mass: 177.16 g/mol
Exact mass: 177.0538 Da
Density: 1.61 g/mL
Melting point: 330.5 °C
Water solubility: < 1 g/L (18.9 °C)
logP: 0.62Crippen estimate
Polar surface area: 92.3 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed15.3% of notifiers
H315 Causes skin irritation94.9% of notifiers
H319 Causes serious eye irritation94.9% of notifiers
H335 May cause respiratory irritation93.2% of notifiers

Aggregated from 59 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

521-31-3

SMILES

Nc1cccc2c(O)nnc(O)c12

InChIKey

HWYHZTIRURJOHG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)

Weigh it out

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

Names and synonyms

8 names

NSC 5064
1,4-Phthalazinedione, 5-amino-2,3-dihydro-
Diogenes reagent
5-Amino-2,3-dihydro-1,4-phthalazinedione
3-Aminophthalhydrazide
3-Aminophthalic acid hydrazide
3-Aminophthalic hydrazide
5-Amino-1,4-dihydroxyphthalazine

Reactions

5-AMINO-2,3-DIHYDRO-1,4-PHTHALAZINEDIONE (1,4-Phthalazinedione, 5-amino-2,3-dihydro-)product

Work with Luminol

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

2,3-Dihydro-1,4-phthalazinedione1445-69-852 % similar 1,5-Diaminonaphthalene2243-62-144 % similar 3-Amino-2(1H)-pyridinone33630-99-844 % similar 5-Amino-1-naphthol83-55-644 % similar 1,8-Diaminonaphthalene479-27-641 % similar 1-Dibenzofuranamine50548-40-840 % similar 1-Naphthylamine134-32-739 % similar 1(2H)-Phthalazinone119-39-138 % similar

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

Same formula

Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-2 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-1 1-Methyl-5-nitroindazole5228-49-9 3-Methyl-6-nitro-1H-indazole6494-19-5 2-Methylpyrazolo[1,5-A]pyrimidine-6-carboxylic acid739364-95-5

Elsewhere

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