4-(Hydroxymethyl)benzaldehyde

HCID 556330CAS 52010-97-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc(CO)cc1
InChIKey: ZFHUHPNDGVGXMS-UHFFFAOYSA-N
Summenformel: C8H8O2
Durchschnittliche Molmasse: 136,15 g/mol
Monoisotopische Masse: 136,0524295

Namen und Bezeichner

Bevorzugter Name: 4-(Hydroxymethyl)benzaldehyde
IUPAC: 4-(hydroxymethyl)benzaldehyde
Englischer Name: 4-Hydroxymethylbenzaldehyde
Summenformel: C8H8O2
Molmasse: 136.15

Namen und Synonyme

4-(hydroxymethyl)benzaldehyde52010-97-6DTXSID10966345RefChem:516183DTXCID001393983815-097-24-HydroxymethylbenzaldehydeMFCD118701914-hydroxymethyl-benzaldehydep-(hydroxymethyl)benzaldehydea-Hydroxy-p-tolualdehydep-hydroxymethylbenzaldehyde

Weitere Namen anzeigen

Benzaldehyde,4-(Hydroxymethyl-P-Tolualdehyde,A-Hydroxy- (6Ci,7Ci

4-hydroxymethylbenzaidehyde4-(hydroxymethyl)-benzaldehydeSCHEMBL1124751AKOS016002000SY023702EN300-26282035745-55-2Z1255384176

Datenbank-Bezeichner

CAS: 52010-97-6
PubChem CID: 556330
DTXSID: DTXSID10966345
EC Number: 815-097-2
Nikkaji: J30.704A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 104

Physikochemische Eigenschaften

Schmelzpunkt: 47 °C · 47 °C(Solv: ligroine (8032-32-4))
Siedepunkt: 291.2 · 291.2±15.0 °C(Predicted)
Dichte: 1.184 · 1.184±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: powder
pka: 14 · 14.00±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
InChIKey: ZFHUHPNDGVGXMS-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(CO)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.