Acetylphenylhydrazine

C₈H₁₀N₂OCAS 114-83-0150.18 g/mol

Open in Covalent MOL file

Amide Secondary amine

Properties

Molecular formula: C₈H₁₀N₂O
Molar mass: 150.18 g/mol
Exact mass: 150.0793 Da
Melting point: 131 °C
Water solubility: < 1 g/L (18.9 °C)
logP: 1.15Crippen estimate
Polar surface area: 41.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H315 Causes skin irritation82.3% of notifiers
H317 May cause an allergic skin reaction83.8% of notifiers
H319 Causes serious eye irritation82.2% of notifiers
H335 May cause respiratory irritation81.8% of notifiers

Aggregated from 776 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

114-83-0

SMILES

CC(=O)NNC1=CC=CC=C1

InChIKey

UICBCXONCUFSOI-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.14 (t, J = 7.7 Hz, 2H), 6.68 (tt, J = 7.7, 1.6 Hz, 1H), 6.56 (dd, J = 7.7, 1.6 Hz, 2H), 5.90 (br s, 1H), 3.60 (br s, 1H), 2.02 (s, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 171.1, 149.3, 129.1, 117.1, 112.3, 19.7.

[M + H]+

[M + H]+ Calcd for C8H11N2O 151.0866

[M + Na]+

[M + Na]+ Calcd for C8H10N2NaO 173.0685

[M − H]−

[M − H]− Calcd for C8H9N2O 149.0720

Elemental analysis

Anal. Calcd for C8H10N2O: C, 63.98; H, 6.71; N, 18.65.