Benzoylhydrazine

C₇H₈N₂OCAS 613-94-5136.15 g/mol

Open in Covalent MOL file

Hydrazone Primary amine

Properties

Molecular formula: C₇H₈N₂O
Molar mass: 136.15 g/mol
Exact mass: 136.0637 Da
Melting point: 115 °C
pKa: 3.03 (conjugate acid, 20 °C)
logP: 0.86Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed82.7% of notifiers
H315 Causes skin irritation92.3% of notifiers
H319 Causes serious eye irritation90.4% of notifiers
H335 May cause respiratory irritation86.5% of notifiers
H351 Suspected of causing cancer15.4% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

613-94-5

SMILES

NN=C(O)c1ccccc1

InChIKey

WARCRYXKINZHGQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)

Weigh it out

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

Names and synonyms

9 names

Benzoic acid, hydrazide
Benzhydrazide
Hydrazine, benzoyl-
Benzoic hydrazide
Benzohydrazide
NSC 644
Benzenecarboxylic acid hydrazide
N-Benzoylhydrazine
INHd 14

Work with Benzoylhydrazine

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

Isophthalic dihydrazide2760-98-772 % similar 3-Methylbenzohydrazide13050-47-063 % similar Dibenzoylhydrazine787-84-863 % similar M-Aminobenzhydrazide14062-34-160 % similar 3-Chlorobenzohydrazide1673-47-860 % similar 3-Bromobenzoic acid hydrazide39115-96-360 % similar 2-Naphthohydrazide39627-84-460 % similar m-Fluorobenzoic acid hydrazide499-55-860 % similar

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

Same formula

2-Amino-5-methylnicotinaldehyde1023814-35-8 N′-Methylnicotinamide114-33-0 3,4-Dihydro-2H-pyrido(3,2-b)(1,4)oxazine20348-23-6 2-Acetyl-3-methylpyrazine23787-80-6 4-Aminobenzamide2835-68-9 Salicylhydrazone3291-00-7 3-Aminobenzamide3544-24-9 2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook