5-Nitrophthalhydrazide

C₈H₅N₃O₄CAS 3682-15-3207.14 g/mol

Open in Covalent MOL file

Nitro Phenol

Properties

Molecular formula: C₈H₅N₃O₄
Molar mass: 207.14 g/mol
Exact mass: 207.0280 Da
Melting point: above 320 °C
logP: 0.95Crippen estimate
Polar surface area: 109.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 1

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled66.7% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

3682-15-3

SMILES

O=[N+]([O-])c1cccc2c(O)nnc(O)c12

InChIKey

YVOBBFQJMOGQOU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)

Weigh it out

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

Names and synonyms

4 names

1,4-Phthalazinedione, 2,3-dihydro-5-nitro-
2,3-Dihydro-5-nitro-1,4-phthalazinedione
5-Nitro-2,3-dihydro-1,4-phthalazinedione
NSC 942

Reactions

5-NITRO-2,3-DIHYDRO-1,4-PHTHALAZINEDIONE (1,4-Phthalazinedione, 5-nitro-2,3-dihydro-)product

Work with 5-Nitrophthalhydrazide

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

1,5-Dinitronaphthalene605-71-055 % similar 3-Nitro-2(1H)-pyridinone6332-56-553 % similar 2,6-Dinitrophenol573-56-851 % similar 1,8-Dinitronaphthalene602-38-051 % similar 1-Nitronaphthalene86-57-749 % similar 5-Nitroquinoline607-34-146 % similar Nitrophenol88-75-546 % similar 1,2-Dinitrobenzene528-29-045 % similar

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

Same formula

4-Hydroxy-7-nitro-1(2H)-phthalazinone3682-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook