4-Brom-2-chlorphenol

4-Bromo-2-chlorophenol

HCID 19859CAS 3964-56-5

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Grundinformationen

Standard-SMILES: Oc1ccc(Br)cc1Cl
InChIKey: VIBJPUXLAKVICD-UHFFFAOYSA-N
Summenformel: C6H4BrClO
Durchschnittliche Molmasse: 207,45 g/mol
Monoisotopische Masse: 205,91340453

Überblick

4-bromo-2-chlorophenol is a halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively. It is an organobromine compound, a halophenol and a member of monochlorobenzenes.

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-chlorophenol
IUPAC: 4-bromo-2-chlorophenol
Lokaler Name: 4-Brom-2-chlorphenol
Englischer Name: 4-Bromo-2-chlorophenol
Summenformel: C6H4BrClO
Molmasse: 207.45

Namen und Synonyme

4-BROMO-2-CHLOROPHENOL3964-56-52-Chloro-4-bromophenolPhenol, 4-bromo-2-chloro-DTXSID30192745994SJ34D8PCHEBI:38852RefChem:98064DTXCID70115236223-572-54-bromo-2-chloro-phenolMFCD00002166

Weitere Namen anzeigen

AKOS BBB/3674-Bromo-2-chL2-CHLORO-4-BROMO PHENOLPhenol,4-broMo-2-chloro-4-Bromo-2-chlorophenol,98%4-Bromo-2-chlorophenol,99%4-Bromo-2-chlorophenol 99%4-Bromo-2-chlorophenol >Phloroglucinol Impurity 235

Phenol, 4-bromochloro-UNII-994SJ34D8PPhenol, 4-bromo-2-chloro-; 4-Bromo-2-chlorophenol; 2-Chloro-4-bromophenolEINECS 223-572-54-bromo-chlorophenolSCHEMBL75671SCHEMBL486293SCHEMBL1096053

Datenbank-Bezeichner

CAS: 3964-56-5
PubChem CID: 19859
DTXSID: DTXSID30192745
ChEBI: CHEBI:38852
UNII: 994SJ34D8P
EC Number: 223-572-5
Nikkaji: J192I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-49 °C (lit.)
Siedepunkt: 232 · 232-235 °C (lit.)
Dichte: 1.617 · 1.6170
Brechungsindex: 1.5859 · 1.5859
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Wasserlöslichkeit: Practically insoluble in water
Aggregatzustand: Low Melting Mass or Crystalline Needles, Powder and Chunks
pka: 7.92 · 7.92±0.18(Predicted)
Farbe: White to off-white
BRN: 2042867 · 2042867
InChI: 1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey: VIBJPUXLAKVICD-UHFFFAOYSA-N
SMILES: Oc1ccc(Br)cc1Cl
CAS Datenbank: 3964 · 3964-56-5(CAS DataBase Reference)
NIST chemische Informationen: 4 · Phenol, 4-bromo-2-chloro-(3964-56-5)
EPA chemische Informationen: 4 · Phenol, 4-bromo-2-chloro- (3964-56-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.7%): 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 76 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 (98.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9/PG 3
hs_code: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Bromo-2-chlorophenol was used as reagent during the synthesis of 7-arylbenzo[b][1,4]oxazin derivatives.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

O，O-diethyl-O-(2-chloro-4-bromophenyl)thiophosphate 4-Brom-2,6-dichlorphenol Profenofos ALLYL 4-BROMO-2-CHLOROPHENYL ETHER Acetic acid, 2-(2-bromo-4-chlorophenoxy)-, 1,1-dimethylethyl ester

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Ergänzende Hinweise

DefinitionChEBI: A halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively.