4,5-Dibromofuran-2-carboxylic acid

HCID 4194832CAS 2434-03-9

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Grundinformationen

Standard-SMILES: O=C(O)c1cc(Br)c(Br)o1
InChIKey: BHUVICYZDBUMIU-UHFFFAOYSA-N
Summenformel: C5H2Br2O3
Durchschnittliche Molmasse: 269,88 g/mol
Monoisotopische Masse: 267,83706812

Namen und Bezeichner

Bevorzugter Name: 4,5-Dibromofuran-2-carboxylic acid
IUPAC: 4,5-dibromofuran-2-carboxylic acid
Englischer Name: 2,3-Dibromofuran-5-carboxylic acid
Summenformel: C5H2Br2O3
Molmasse: 269.88

Namen und Synonyme

4,5-dibromofuran-2-carboxylic AcidRefChem:507635628-515-14,5-Dibromo-2-furoic acid2434-03-92,3-Dibromofuran-5-carboxylic acid4,5-Dibromo-2-furancarboxylic acidMFCD000923112-Furancarboxylicacid, 4,5-dibromo-2-Furancarboxylic acid, 4,5-dibromo-SCHEMBL274316DTXSID60400663

Weitere Namen anzeigen

4,5-Dibromo-2-furoicacid,97%4,5-DibroMo-2-furoic acid 97%

LCZC2596BHUVICYZDBUMIU-UHFFFAOYSA-BHUVICYZDBUMIU-UHFFFAOYSA-N4,5-dibromofuran-2-carboxylicAcid4,5-Dibromo-2-furoic acid, 97%SBB0691024,5-dibromo-furan-2-carboxylic acidAKOS005264334

Datenbank-Bezeichner

CAS: 2434-03-9
PubChem CID: 4194832
DTXSID: DTXSID60400663
EC Number: 628-515-1
Nikkaji: J80.485A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 50,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 150

Physikochemische Eigenschaften

Schmelzpunkt: 169 · 169-173 °C
Siedepunkt: 328.7 · 328.7±42.0 °C(Predicted)
Dichte: 2.304 · 2.304±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 2.58 · 2.58±0.16(Predicted)
BRN: 129312 · 129312
InChI: InChI=1S/C5H2Br2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChIKey: BHUVICYZDBUMIU-UHFFFAOYSA-N
SMILES: O1C(Br)=C(Br)C=C1C(O)=O
CAS Datenbank: 2434 · 2434-03-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

Sicherheitsdaten

wgk: 3
hs_code: 2932190090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,3-Dibromofuran-5-carboxylic acid is used in a study of the effect of a furanyl halo-substituent on the intramolecular Diels-Alder reaction between the furan ring system and a pendant allylamide. The yield of the cycloaddition is improved with a C-5 bromide vs -chloro or -unsubstituted furan.