Bromhydrochinon

2-Bromo-1,4-benzenediol

HCID 68502CAS 583-69-7

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Grundinformationen

Standard-SMILES: Oc1ccc(O)c(Br)c1
InChIKey: REFDOIWRJDGBHY-UHFFFAOYSA-N
Summenformel: C6H5BrO2
Durchschnittliche Molmasse: 189,01 g/mol
Monoisotopische Masse: 187,9472915

Überblick

metabolite of bromobenzene & 2-bromophenol; structure given in first source

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1,4-benzenediol
IUPAC: 2-bromobenzene-1,4-diol
Lokaler Name: Bromhydrochinon
Englischer Name: Bromohydroquinone
Summenformel: C6H5BrO2
Molmasse: 189.01

Namen und Synonyme

Bromohydroquinone2-bromobenzene-1,4-diol583-69-72-Bromohydroquinone2-Bromoquinol1,4-Benzenediol, 2-bromo-2-Bromo-1,4-benzenediolHydroquinone, bromo-DTXSID6060397B33BAR0J2ENSC-3977RefChem:121593

Weitere Namen anzeigen

bromo-hydroquinonBromohydroquinone >Hydroquinone, bromo-2-bromo-4-benzenediolBromohydroquinone，90%

DTXCID1042362209-516-2C6H5BrO2MFCD00041747BromoquinolNSC 3977EINECS 209-516-2BRN 2042870

Datenbank-Bezeichner

CAS: 583-69-7
PubChem CID: 68502
DTXSID: DTXSID6060397
UNII: B33BAR0J2E
EC Number: 209-516-2
Nikkaji: J95.607D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phenols

Physical DescriptionBrown solid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-116 °C(lit.)
Siedepunkt: 278.3 · 278.3±20.0 °C(Predicted)
Dichte: 1.5555 · 1.5555 (rough estimate)
Brechungsindex: 1.4925 · 1.4925 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 9.14 · 9.14±0.18(Predicted)
Aggregatzustand: Fine Crystalline Powder
Farbe: Beige to brown
InChIKey: REFDOIWRJDGBHY-UHFFFAOYSA-N
CAS Datenbank: 583 · 583-69-7(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,4-Benzenediol, 2-bromo- (583-69-7)

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryAn irritant; Reproductive effects observed in experimental animals; [Acros Organics MSDS] See Hydroquinone. See 2,4,6-Tribromophenol, p-Bromophenol, and o-Bromophenol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29081990
RTECS-Nr.: CZ8920000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Verwendung und Herstellung

UsesMetabolite of bromobenzene & 2-bromophenol. [ChemIDplus]

General Manufacturing Information1,4-Benzenediol, 2-bromo-: ACTIVE

Anwendungen

VerwendenBromohydroquinone was used in the synthesis of Π-conjugated polymers composed of alkyl carbazole/dialkoxyphenylene and squaraine units via Sonogashira cross-coupling reactions. It was used in the preparation of 2-bromobenzoquinone.