2,4-Dinitrophenylacetic acid

HCID 221513CAS 643-43-6

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Grundinformationen

Standard-SMILES: O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey: KCNISYPADDTFDO-UHFFFAOYSA-N
Summenformel: C8H6N2O6
Durchschnittliche Molmasse: 226,14 g/mol
Monoisotopische Masse: 226,02258591

Überblick

RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: 2,4-Dinitrophenylacetic acid
IUPAC: 2-(2,4-dinitrophenyl)acetic acid

Namen und Synonyme

2,4-Dinitrophenylacetic acid643-43-6Benzeneacetic acid, 2,4-dinitro-DTXSID20862349RefChem:443840DTXCID10811129211-398-22-(2,4-dinitrophenyl)acetic acid(2,4-Dinitrophenyl)acetic acidNSC6225MFCD0000722724-Dinitrophenylacetic Acid

Weitere Namen anzeigen

NSC-62252,4-dimtrophenylacetic acidNCIStruc1_000234NCIStruc2_000110Benzeneacetic acid,4-dinitro-SCHEMBL8659862,4-DINITROPHENOXAZINEAcetic acid,4-dinitrophenyl)-

Datenbank-Bezeichner

CAS: 643-43-6
PubChem CID: 221513
DTXSID: DTXSID20862349
ChEMBL: CHEMBL1741495
EC Number: 211-398-2
Nikkaji: J134.604K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 129 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 307

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Vapor Pressure0.00000061 [mmHg]

Physical DescriptionPowder; [Alfa Aesar MSDS]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.