2-Bromo-6-hydroxybenzaldehyde

HCID 11954768

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Grundinformationen

CAS: 22532-61-2
Standard-SMILES: O=Cc1c(O)cccc1Br
InChIKey: LQTXMBDCLHZDAM-UHFFFAOYSA-N
Summenformel: C7H5BrO2
Durchschnittliche Molmasse: 201,02 g/mol
Monoisotopische Masse: 199,94729

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-6-hydroxybenzaldehyde
IUPAC: 2-bromo-6-hydroxybenzaldehyde
Englischer Name: 2-Bromo-6-hydroxybenzaldehyde
Summenformel: C7H5BrO2
Molmasse: 201.02

Namen und Synonyme

2-BROMO-6-HYDROXYBENZALDEHYDE22532-61-2DTXSID30474659RefChem:257466DTXCID20425473696-195-0MFCD08234722Benzaldehyde, 2-bromo-6-hydroxy-6-bromo-2-hydroxybenzaldehydeCL8260AKOS005257158CS-W001122

Weitere Namen anzeigen

2-Bromo-6-hydroxybenzaldehyd3-BroMo-2-forMylphenol2-bromo-hydroxybenzaldehyde2-hydroxy-6-bromobenzaldehydeBenzaldehyde,2-broMo-6-hydroxy-3-Bromo-2-formylphenol, 6-Bromosalicylaldehyde

AB43626PS-5659SY024446EN300-116695Z12691757286-BROMOSALICYLALDEHYDE2-bromo-6-hydroxy-benzaldehyde6-Bromosalicylaldehyde; 2-Bromo-6-hydroxybenzaldehyde; 2-Hydroxy-6-bromobenzaldehyde; 6-Bromo-2-hydroxybenzaldehyde; 6-Bromosalicylaldehyde

Datenbank-Bezeichner

CAS: 22532-61-2
PubChem CID: 11954768
DTXSID: DTXSID30474659
EC Number: 696-195-0
Nikkaji: J1.399.370J

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 · 50-52 °C
Siedepunkt: 243.4 · 243.4±20.0 °C(Predicted)
Dichte: 1.737 · 1.737±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 7.21 · 7.21±0.10(Predicted)
Farbe: Light Yellow
InChI: InChI=1S/C7H5BrO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H
InChIKey: LQTXMBDCLHZDAM-UHFFFAOYSA-N
SMILES: C(=O)C1=C(O)C=CC=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (100%)；STOT SE 3 (33.3%)