4-Bromo-2-furaldehyde

HCID 2757010CAS 21921-76-6

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Grundinformationen

Standard-SMILES: O=Cc1cc(Br)co1
InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N
Summenformel: C5H3BrO2
Durchschnittliche Molmasse: 174,98 g/mol
Monoisotopische Masse: 173,93164

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-furaldehyde
IUPAC: 4-bromofuran-2-carbaldehyde
Englischer Name: 4-Bromo-2-furaldehyde
Summenformel: C5H3BrO2
Molmasse: 174.98

Namen und Synonyme

4-Bromo-2-furaldehyde21921-76-6DTXSID70373692RefChem:290740DTXCID10324724626-307-54-bromofuran-2-carbaldehyde4-BromofurfuralMFCD00671504C5H3BrO22-Furancarboxaldehyde, 4-bromo-4-bromo-2-furancarbaldehyde

Weitere Namen anzeigen

Furfural Impurity 174-Bromo-2-formylfuran4-Bromo-2-furaldehyde 97%4-Bromo-2-furaldehyde >4-BROMO-2-FURALDEHYDE 95+%4-BROMOFURAN-2-CARBOXALDEHYDE

4-bromo-furan-2-carbaldehyde4-bromo-furfural4-bromofuraldehydeSCHEMBL1495204-bromo-furan-2-carboxaldehyde4-Bromo-2-furaldehyde, 97%CHEMBL4533209CS-B0789

Datenbank-Bezeichner

CAS: 21921-76-6
PubChem CID: 2757010
DTXSID: DTXSID70373692
ChEMBL: CHEMBL4533209
EC Number: 626-307-5
Nikkaji: J1.504.918I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-58 °C
Siedepunkt: 112 ℃/16mm · 112℃/16mm
Dichte: 1.748 · 1.748±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: 1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N
SMILES: Brc1coc(C=O)c1
CAS Datenbank: 21921 · 21921-76-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (87%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Skin Irrit. 2 (97.8%)；Skin Sens. 1 (87%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

Sicherheitsdaten

wgk: 3
hs_code: 2932190090
risk_code: 22-36/37/38-43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-28-36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3