Di-2-pyridinylmethanone oxime

HCID 73805

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Basic information

CAS: 1562-95-4
Standard SMILES: ON=C(c1ccccn1)c1ccccn1
InChIKey: KLOQKBNABUIDIU-UHFFFAOYSA-N
Molecular formula: C11H9N3O
Average molar mass: 199.21 g/mol
Monoisotopic mass: 199.07456191

Overview

reagent for the determination of gold in biological materials; structure

Names & identifiers

Preferred name: Di-2-pyridinylmethanone oxime
IUPAC: N-(dipyridin-2-ylmethylidene)hydroxylamine
English name: DI-2-PYRIDYL KETOXIME
Molecular formula: C11H9N3O
Molecular weight: 199.21

Names & synonyms

1562-95-4Di-2-pyridylketoximeMethanone, di-2-pyridinyl-, oximeRefChem:568811Di-2-pyridinylmethanone oximedi-2-Pyridyl ketoximeDi(pyridin-2-yl)methanone oximedi-2-Pyridyl ketone oximeBis(2-pyridyl) ketone oxime2,2'-Dipyridyl ketoximeN-[Bis(pyridin-2-yl)methylidene]hydroxylamineMFCD00006311

Show more names

Nsc 155179methanone oximeDi(pyridin-2-yl)DipyridylketoximeDi-2-pyridylKetoxime>DI-2-PYRIDYL KETONE OXIMEBis(2-pyridinyl) ketoneoxime

N-(dipyridin-2-ylmethylidene)hydroxylamine6CW6XQN622NSC-155179bis(2-pyridyl)methanone oximepyridyl ketone oximEINECS 216-349-9pyridyl ketone oximeNSC155179

Database identifiers

CAS: 1562-95-4
PubChem CID: 73805
DTXSID: DTXSID30935391
UNII: 6CW6XQN622
EC Number: 216-349-9
Nikkaji: J206.797H

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 210

Physicochemical properties

Melting point: 142 · 142-143 °C (lit.)
Boiling point: 393.3 · 393.3±30.0 °C(Predicted)
Density: 1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: 8.31 · 8.31±0.50(Predicted)
color: White to Light yellow
InChI: 1S/C11H9N3O/c15-14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,15H
InChIKey: KLOQKBNABUIDIU-UHFFFAOYSA-N
SMILES: O\N=C(\c1ccccn1)c2ccccn2
FDA UNII: 6 CW6XQN622 · 6CW6XQN622
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesDi-2-pyridyl ketone oxime was used as a standard in the metal assay for determination of cobalt. It may be employed as metal-complexing agent.

General DescriptionDi-2-pyridyl ketone oxime forms hexanuclear clusters with extremely rare manganese oxidation-state combinations. It forms neutral binuclear and cationic trinuclear, pentanuclear or hexanuclear complexes in copper chemistry.