4-Bromo-3-chlorophenol

HCID 7018182CAS 13631-21-5

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Grundinformationen

Standard-SMILES: Oc1ccc(Br)c(Cl)c1
InChIKey: FQEYHIPPYOSPLF-UHFFFAOYSA-N
Summenformel: C6H4BrClO
Durchschnittliche Molmasse: 207,45 g/mol
Monoisotopische Masse: 205,91340453

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-3-chlorophenol
IUPAC: 4-bromo-3-chlorophenol
Englischer Name: 4-Bromo-3-chlorophenol
Summenformel: C6H4BrClO
Molmasse: 207.45

Namen und Synonyme

4-Bromo-3-chlorophenol13631-21-5DTXSID70426955RefChem:98119DTXCID00377789603-955-7MFCD000707443-chloro-4-bromophenol4-bromo-3-chloro-phenol4-Bromo-3-chlorophenol, AldrichCPRCL8500AKOS015835305

Weitere Namen anzeigen

Phenol,4-bromo-3-chloro-2-Chloro-4-hydroxybromobenzene

CS-W007870PS-8060B5816EN300-115223Phenol, 4-bromo-3-chloro-4-bromanyl-3-chloranyl-phenolAM734BCP05734

Datenbank-Bezeichner

CAS: 13631-21-5
PubChem CID: 7018182
DTXSID: DTXSID70426955
EC Number: 603-955-7
Nikkaji: J801.760C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-66°C
Siedepunkt: 267.5 · 267.5±20.0 °C(Predicted)
Dichte: 1.788 · 1.788±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.43 · 8.43±0.18(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: Slightly soluble in water.
BRN: 3236445 · 3236445
InChI: InChI=1S/C6H4BrClO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey: FQEYHIPPYOSPLF-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C(Cl)=C1
CAS Datenbank: 13631 · 13631-21-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312 (75.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

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 37 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (94.6%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2908.19.6000
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden4-Bromo-3-chlorophenol is used as a precursor in organic synthesis to prepare 4-(benzyloxy)-l-bromo-2-chlorobenzene by reaction with benzyl bromide.