4-Hydroxyphenylacetamid

(4-Hydroxyphenyl)acetamide

HCID 86986

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Grundinformationen

CAS: 17194-82-0
Standard-SMILES: NC(=O)Cc1ccc(O)cc1
InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Überblick

2-(4-Hydroxyphenyl)acetamide is a member of acetamides.

Namen und Bezeichner

Bevorzugter Name: (4-Hydroxyphenyl)acetamide
IUPAC: 2-(4-hydroxyphenyl)acetamide
Lokaler Name: 4-Hydroxyphenylacetamid
Englischer Name: 4-Hydroxyphenylacetamide
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

17194-82-04-Hydroxybenzeneacetamide(p-Hydroxyphenyl)acetamidep-(Carbamoylmethyl)phenol2-(p-Hydroxyphenyl)acetamide(4-Hydroxyphenyl)acetamide4-(Hydroxyphenyl)acetamideAcetamide, 2-(p-hydroxyphenyl)-0HY0N4ITN4NSC-187193DTXSID4066171RefChem:523998

Weitere Namen anzeigen

para-HydroxyphenylacetamidePHAA500G1KG5KGAtenlol Imp AATENOLOL IMP ACompound Fr14145Atenlol Impurity AATENOLOL IMPURITY ALABOTEST-BB LT00848172HydroxyphenylacetaMide

DTXCID6035497241-235-04-Hydroxyphenylacetamide2-(4-Hydroxyphenyl)acetamidep-HydroxyphenylacetamideBenzeneacetamide, 4-hydroxy-Atenolol EP Impurity AMFCD00017145

Datenbank-Bezeichner

CAS: 17194-82-0
PubChem CID: 86986
DTXSID: DTXSID4066171
ChEMBL: CHEMBL447310
ChEBI: CHEBI:194828
UNII: 0HY0N4ITN4
EC Number: 241-235-0
Nikkaji: J42.257F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Physikochemische Eigenschaften

Schmelzpunkt: 176 · 176-178 °C (lit.)
Siedepunkt: 273.17 °C · 273.17°C (rough estimate)
Dichte: 1.2023 · 1.2023 (rough estimate)
Brechungsindex: 1.581 · 1.5810 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Fine Crystalline Powder
pka: 9.99 · 9.99±0.26(Predicted)
Farbe: Beige
Wasserlöslichkeit: soluble
BRN: 2085984 · 2085984
InChI: 1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N
SMILES: NC(=O)Cc1ccc(O)cc1
CAS Datenbank: 17194 · 17194-82-0(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Hydroxyphenylacetamide(17194-82-0)
EPA chemische Informationen: 4 · Benzeneacetamide, 4-hydroxy- (17194-82-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (94.2%): 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 19-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22972

Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29242990
RTECS-Nr.: AC3851500
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-24/25-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzeneacetamide, 4-hydroxy-: INACTIVE

Anwendungen

Verwenden4-(Hydroxyphenyl)acetamide is used as an intermediate for the synthesis of Atenolol (A790075) and various other organic compounds and pharmaceuticals. It is a process impurity for Atenolol (A790075)