p-Hydroxybenzamid

4-Hydroxybenzamide

HCID 65052CAS 619-57-8

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Grundinformationen

Standard-SMILES: NC(=O)c1ccc(O)cc1
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
Summenformel: C7H7NO2
Durchschnittliche Molmasse: 137,14 g/mol
Monoisotopische Masse: 137,04767846

Überblick

P-Hydroxybenzamide is a member of benzamides.

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxybenzamide
IUPAC: 4-hydroxybenzamide
Lokaler Name: p-Hydroxybenzamid
Englischer Name: 4-Hydroxybenzamide
Summenformel: C7H7NO2
Molmasse: 137.14

Namen und Synonyme

4-Hydroxybenzamide619-57-8p-HydroxybenzamideBenzamide, 4-hydroxy-9OU5YD093JDTXSID10210931NSC-524134RefChem:99273DTXCID40133422210-602-74-Hydroxy-benzamideMFCD00007997

Weitere Namen anzeigen

Benzamide,p-hydroxy-Benzamide,4-hydroxy-4-Hydroxybenzamide>4-HYDROXYBENZAMIDE 98%Tetracaine Impurity 474-HYDROXYBENZAMIDE, 97+%4-Hydroxybenzamide, 98+%4-Hydroxy-benzoesaeure-amid

41911-58-44-hydroxybenzene carboxamideCHEMBL123617P-HYDROXYBENZOIC ACID AMIDEBDBM50106201SY016463H0200EN300-18541

Datenbank-Bezeichner

CAS: 619-57-8
PubChem CID: 65052
DTXSID: DTXSID10210931
ChEMBL: CHEMBL123617
ChEBI: CHEBI:220253
UNII: 9OU5YD093J
EC Number: 210-602-7
Nikkaji: J94.905A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 128

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

LogP0.33

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 161 · 161-162 °C (lit.)
Siedepunkt: 345.3 · 345.3±25.0 °C(Predicted)
Dichte: 1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.6 · 8.60±0.13(Predicted)
Farbe: White to Light yellow to Dark green
BRN: 1906921 · 1906921
InChI: InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(O)C=C1
CAS Datenbank: 619 · 619-57-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 11.3% (6 of 53) of reports.

Warning

H315 (88.7%): 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.