3-Bromo-4-hydroxybenzaldehyde

HCID 76308CAS 2973-78-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc(O)c(Br)c1
InChIKey: UOTMHAOCAJROQF-UHFFFAOYSA-N
Summenformel: C7H5BrO2
Durchschnittliche Molmasse: 201,02 g/mol
Monoisotopische Masse: 199,9472915

Überblick

3-Bromo-4-hydroxybenzaldehyde has been reported in Pseudoceratina purpurea with data available.

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-4-hydroxybenzaldehyde
IUPAC: 3-bromo-4-hydroxybenzaldehyde
Englischer Name: 3-BROMO-4-HYDROXYBENZALDEHYDE
Summenformel: C7H5BrO2
Molmasse: 201.02

Namen und Synonyme

3-Bromo-4-hydroxybenzaldehyde2973-78-6Benzaldehyde, 3-bromo-4-hydroxy-4-Hydroxy-3-bromobenzaldehydeDTXSID30183890NSC 220227RefChem:93164DTXCID70106381608-409-1UOTMHAOCAJROQF-UHFFFAOYSA-N3-Bromo-4-hydroxy-benzaldehydeMFCD00017348

Weitere Namen anzeigen

2-Bromo-4-formylphenolAKOS B029029ASISCHEM N489233-BROMO-4-HYROXYBENZALDEHYDE3-bromo-4-hydroxy benzeldehyde3-Bromo-4-hydroxybenza I dehyde3-Bromo-4-hydroxybenzaldehyde >

3-bromo-4-hydroxy benzaldehydeCK2092STK398334PS-3499SY040634EN300-07841Q63395282Z56960236

Datenbank-Bezeichner

CAS: 2973-78-6
PubChem CID: 76308
DTXSID: DTXSID30183890
EC Number: 608-409-1
Nikkaji: J99.643B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
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

Experimentelle und physikochemische Eigenschaften

LogP1.83

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 130 · 130-135 °C (lit.)
Siedepunkt: 261.3 · 261.3±20.0 °C(Predicted)
Dichte: 1.737 · 1.737±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
pka: 6.24 · 6.24±0.18(Predicted)
Farbe: White to Pale Yellow
Wasserlöslichkeit: 1.33 g/L · Soluble in water 1.33 g/L.
BRN: 2205318 · 2205318
InChI: InChI=1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
InChIKey: UOTMHAOCAJROQF-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C(Br)=C1
CAS Datenbank: 2973 · 2973-78-6(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzaldehyde, 3-bromo-4-hydroxy-(2973-78-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Bromo-4-hydroxybenzaldehyde is an intermediate in organic syntheses, it is used to produce other chemicals like 5-Brom-4-hydroxy-b-nitrostyrol.