Ethyl 4-hydrazinylbenzoate

HCID 792992

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Basic information

CAS: 14685-90-6
Standard SMILES: CCOC(=O)c1ccc(NN)cc1
InChIKey: JYYDHGMTXHCSKZ-UHFFFAOYSA-N
Molecular formula: C9H12N2O2
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.08987762

Names & identifiers

Preferred name: Ethyl 4-hydrazinylbenzoate
IUPAC: ethyl 4-hydrazinylbenzoate
English name: 4-Hydrazino-benzoic acid ethyl ester
Molecular formula: C9H12N2O2
Molecular weight: 180.2

Names & synonyms

ethyl 4-hydrazinylbenzoate14685-90-6DTXSID70355170RefChem:343980DTXCID403062304-Hydrazino-benzoic acid ethyl esterethyl 4-hydrazinobenzoateBenzoic acid, 4-hydrazinyl-, ethyl esterMFCD00278571Deferasirox Impurity 12Benzoic acid, 4-hydrazino-, ethyl esterethyl 4-hydrazineylbenzoate

Show more names

4-(1-ethylhydrazin-1-yl)benzoateethyl 4-hydrazinobenzoate(SALTDATA: HCl)

Ethyl p-benzoate4-Hydrazinobenzoic acid ethyl esterBenzoic acid,4-hydrazinyl-, ethyl esterEthyl4-hydrazinylbenzoateethyl-4-hydrazinobenzoateDeferasirox Impurity 12Oprea1_743500p-ethoxycarbonylphenylhydrazine

Database identifiers

CAS: 14685-90-6
PubChem CID: 792992
DTXSID: DTXSID70355170
EC Number: 675-301-9
Nikkaji: J33.750A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 118 °C · 118 °C
Boiling point: 329.9 · 329.9±25.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 4.39 · 4.39±0.20(Predicted)
form: Solid
color: Dark Red to Very Dark Red
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, 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. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313