4-Bromo-2-hydroxybenzaldehyde

HCID 4066019CAS 22532-62-3

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Grundinformationen

Standard-SMILES: O=Cc1ccc(Br)cc1O
InChIKey: HXTWKHXDFATMSP-UHFFFAOYSA-N
Summenformel: C7H5BrO2
Durchschnittliche Molmasse: 201,02 g/mol
Monoisotopische Masse: 199,94729

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-hydroxybenzaldehyde
IUPAC: 4-bromo-2-hydroxybenzaldehyde
Englischer Name: 4-Bromo-2-hydroxybenzaldehyde
Summenformel: C7H5BrO2
Molmasse: 201.02

Namen und Synonyme

4-Bromo-2-hydroxybenzaldehyde22532-62-3DTXSID40398953RefChem:98082DTXCID70349812636-586-54-Bromosalicylaldehyde4-Bromo-2-hydroxy-benzaldehyde2-hydroxy-4-bromobenzaldehydeMFCD06252606SCHEMBL10065864-Bromo-2-hydroxybenzaldehyde, 97%

Weitere Namen anzeigen

4-BroMo-2-hydroxybenzaldheydeD14044-Bromo-2-hydroxybenzaL4-Bromosalicylaldehyde >Hydroxy-4-bromobenzaldehyde4-Bromo-2-hydroxybenaldehyde3-bromo-3-hydroxybenzaldehyde

CS-W001114HY-W001114AB23661AC-5051BG-0702SY010339B3637W-201939

Datenbank-Bezeichner

CAS: 22532-62-3
PubChem CID: 4066019
DTXSID: DTXSID40398953
EC Number: 636-586-5
Nikkaji: J1.379.160K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Physikochemische Eigenschaften

Schmelzpunkt: 50 · 50-54 °C
Siedepunkt: 48 · 48-52 °C(Press: 0.04 Torr)
Dichte: 1.737 · 1.737±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
Aggregatzustand: powder to crystal
pka: 7.21 · 7.21±0.10(Predicted)
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey: HXTWKHXDFATMSP-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Br)C=C1O
CAS Datenbank: 22532 · 22532-62-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (93.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.