(4-Methylphenyl)hydrazine

HCID 10875

Notes Reactions

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Basic information

CAS: 539-44-6
Standard SMILES: Cc1ccc(NN)cc1
InChIKey: XAMBIJWZVIZZOG-UHFFFAOYSA-N
Molecular formula: C7H10N2
Average molar mass: 122.17 g/mol
Monoisotopic mass: 122.08439832

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: (4-Methylphenyl)hydrazine
IUPAC: (4-methylphenyl)hydrazine
English name: 4-Methylphenylhydrazine
Molecular formula: C7H10N2
Molecular weight: 122.17

Names & synonyms

4-Methylphenylhydrazine539-44-6(4-Methylphenyl)hydrazinep-MethylphenylhydrazineHydrazine, (4-methylphenyl)-HYDRAZINE, p-TOLYL-NS424488W5J59.888GDTXSID80202166RefChem:99927DTXCID80124657208-717-2

Show more names

AKOS BBS-000043404-Methyl-1-hydrazinobenzene

p-TolylhydrazineN-4-Methylphenylhydrazine4-tolylhydrazinep-Tolyl-hydrazineMFCD00060553EINECS 208-717-2BRN 07422701-(4-Methylphenyl)hydrazine

Database identifiers

CAS: 539-44-6
PubChem CID: 10875
DTXSID: DTXSID80202166
ChEMBL: CHEMBL3884912
UNII: NS424488W5
EC Number: 208-717-2
Nikkaji: J59.888G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 75

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 61 · 61-65 °C
Boiling point: 242.8 · 242.8±9.0 °C(Predicted)
Density: 1.087 · 1.087±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, stored under nitrogen
pka: 5.4 · 5.40±0.20(Predicted)
Appearance: Light yellow to yellow Solid
CAS DataBase Reference: 539 · 539-44-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 424488 W5 · NS424488W5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Methylphenylhydrazine is a reagent used in the synthesis of COX/LOX inhibitors. Also used in the preparation of potent antifungal derivatives.