2,4,6-Tribromphenol

2,4,6-Tribromophenol

HCID 1483CAS 118-79-6

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Grundinformationen

Standard-SMILES: Oc1c(Br)cc(Br)cc1Br
InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
Summenformel: C6H3Br3O
Durchschnittliche Molmasse: 330,801 g/mol
Monoisotopische Masse: 327,77340102

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Tribromophenol
IUPAC: 2,4,6-Tribromophenol
Lokaler Name: 2,4,6-Tribromphenol
Englischer Name: 2,4,6-Tribromophenol
Summenformel: C6H3Br3O
Molmasse: 330.8

Namen und Synonyme

TRIBROMOPHENOL2,4,6-TribromphenolPhenol, 2,4,6-tribromo-BROMOLTA 10FR-613Emery 9332flammex3bpbromkalpur3Flammex 3BP

Datenbank-Bezeichner

CAS: 118-79-6
PubChem CID: 1483
DTXSID: DTXSID6021959
ChEMBL: CHEMBL220087
ChEBI: CHEBI:47696
UNII: YS6K3EU393
EC Number: 204-278-6
Nikkaji: J5.307D

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt: 90 · 90-94 °C(lit.)
Siedepunkt: 282 · 282-290 °C746 mm Hg(lit.)
Dichte: 2.55 · 2.55
Dampfdichte: 11.4 · 11.4 (vs air)
Dampfdruck: 0.042 · 0.042-0.063Pa at 25℃
Brechungsindex: 1.558 · 1.5580 (estimate)
Flammpunkt: 282 · 282-290°C subl.
storage temp.: 2 · 2-8°C
Löslichkeit: 0.007 g/100ml · water: soluble0.007g/100ml at 25°C
Aggregatzustand: Powder
pka: 6.34 · 6.34±0.23(Predicted)
Farbe: White to slightly brown
Wasserlöslichkeit: 71 mg/L · 71 mg/L (15 ºC)
Merck: 14 · 14,9613
BRN: 776920 · 776920
Henry's Law Constant: 2.1 · 2.1×102 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application: environmental
InChI: 1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES: Oc1c(Br)cc(Br)cc1Br
LogP: 3.7 · 3.7-3.89 at 23.5-25℃
CAS Datenbank: 118 · 118-79-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · Phenol, 2,4,6-tribromo-(118-79-6)
EPA chemische Informationen: 2 · 2,4,6-Tribromophenol (118-79-6)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 1230 3/PG 2
hs_code: 29081990
RTECS-Nr.: SN1225000
risk_code: 36/37/38-51/53-20/22-39/23/24/25-23/24/25-11-63-43-45-50-36-67-40-22
Toxizität: guinea pig,LDLo,oral,3gm/kg (3000mg/kg),National Technical Information Service. Vol. OTS0522208,
hazard_code: Xi,N,Xn,T,F
safety_code: 26-36-61-37/39-45-36/37-16-7-24/25-23-53-37
hazard_class: 9
packing_group: III
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 118-79-6(Hazardous Substances Data)
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden2,4,6-Tribromophenol is used as a certified reference standard for the determination of the analyte in multiple solid formulation drug products using gas chromatography coupled to tandem mass spectrometry.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

4-Amino-3-methoxyphenylboronic acid, pinacol ester 2,4-Dibromphenol 2-(Allyloxy)-1,3,5-tribrombenzol 2,4,6-Tribromoanisole 2,4,6-Tribromophenolsodiumsalt 1,1'-[Ethan-1,2-diylbisoxy]bis[2,4,6-tribrombenzol]Bis(2,4,6-tribromphenyl)fumarat 2,4,6-Tribromophenyl Sulfate Potassium Salt 2,4,6-Tribromphenylacetat

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Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 2,4,6-tribromophenol is a bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines. It is commonly used as a fungicide and in the preparation of flame retardants. It has a role as an environmental contaminant, a fungicide and a marine metabolite.