Salicylhydrazone

C₇H₈N₂OCAS 3291-00-7136.15 g/mol

Open in Covalent MOL file

Hydrazone Phenol Primary amine

Properties

Molecular formula: C₇H₈N₂O
Molar mass: 136.15 g/mol
Exact mass: 136.0637 Da
Melting point: 96 °C
logP: 0.68Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

3291-00-7

SMILES

NN=Cc1ccccc1O

InChIKey

MYUNWHTZYXUCIK-UHFFFAOYSA-N

InChI

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

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.30 (dd, J = 7.7, 1.6 Hz, 1H), 7.20 (s, 1H), 7.14 (td, J = 7.7, 1.6 Hz, 1H), 6.88 (td, J = 7.7, 1.6 Hz, 1H), 6.77 (dd, J = 7.7, 1.6 Hz, 1H), 5.30 (br s, 1H), 1.20 (br s, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 153.0, 140.0, 129.1, 127.5, 124.7, 121.0, 115.6.

[M + H]+

[M + H]+ Calcd for C7H9N2O 137.0709

[M + Na]+

[M + Na]+ Calcd for C7H8N2NaO 159.0529

[M − H]−

[M − H]− Calcd for C7H7N2O 135.0564

Elemental analysis

Anal. Calcd for C7H8N2O: C, 61.75; H, 5.92; N, 20.58.