4-Chlorobenzenehydroxamic acid

HCID 587178CAS 1613-88-3

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Grundinformationen

Standard-SMILES: O=C(NO)c1ccc(Cl)cc1
InChIKey: DODOQPRLYSBBHR-UHFFFAOYSA-N
Summenformel: C7H6ClNO2
Durchschnittliche Molmasse: 171,58 g/mol
Monoisotopische Masse: 171,00870611

Namen und Bezeichner

Bevorzugter Name: 4-Chlorobenzenehydroxamic acid
IUPAC: 4-chloro-N-hydroxybenzamide
Englischer Name: Benzamide, 4-chloro-N-hydroxy-
Summenformel: C7H6ClNO2
Molmasse: 171.58

Namen und Synonyme

4-Chloro-N-hydroxybenzamide1613-88-3p-Chlorobenzohydroxamic acid4-Chlorobenzenehydroxamic acidBenzamide, 4-chloro-N-hydroxy-FGV74DKB7GDTXSID90167111RefChem:521938DTXCID4089602830-997-5Benzamide,4-chloro-N-hydroxy-4-chlorobenzohydroxamic acid

Weitere Namen anzeigen

4-chlorobenzenecarbohydroxamic acidMFCD03551074benzohydroxamic acid, 4-chloro-UNII-FGV74DKB7G4-Chlorobenzhydroximic acid4-Chlorobenzohydroximic acid4-Chlorobenzeneformhydroxamic acidA1CPA

Datenbank-Bezeichner

CAS: 1613-88-3
PubChem CID: 587178
DTXSID: DTXSID90167111
ChEMBL: CHEMBL569419
UNII: FGV74DKB7G
EC Number: 830-997-5
Nikkaji: J316.687B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Schmelzpunkt: 177 °C · 177 °C
Dichte: 1.398 · 1.398±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8 · 8+-.0.10(Predicted)
InChI: InChI=1S/C7H6ClNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKey: DODOQPRLYSBBHR-UHFFFAOYSA-N
SMILES: C(NO)(=O)C1=CC=C(Cl)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, 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.

Gefahrenhinweise

Regulatory InformationBenzamide, 4-chloro-N-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)