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2,2',4,4',6,6'-Hexabromobiphenyl

HCID 93322
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Grundinformationen

CAS
59261-08-4
Standard-SMILES
Brc1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(Br)c1
InChIKey
LNFYSRMCCKKDEH-UHFFFAOYSA-N
Summenformel
C12H4Br6
Durchschnittliche Molmasse
627,6 g/mol
Monoisotopische Masse
621,54133

Überblick

2,2',4,4',6,6'-Hexabromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

Namen und Bezeichner

Bevorzugter Name
2,2',4,4',6,6'-Hexabromobiphenyl
IUPAC
1,3,5-tribromo-2-(2,4,6-tribromophenyl)benzene
Englischer Name
2,2',4,4',6,6'-HEXABROMOBIPHENYL
Summenformel
C12H4Br6
Molmasse
627.58

Namen und Synonyme

2,2',4,4',6,6'-Hexabromobiphenyl59261-08-4PBB 1551,3,5-tribromo-2-(2,4,6-tribromophenyl)benzene642OIA2442NSC-1573121,1'-Biphenyl, 2,2',4,4',6,6'-hexabromo-DTXSID4074772RefChem:80622DTXCID50425862,2',4,4',6,6'-Hexabromo-1,1'-biphenylPBB-No. 155
Weitere Namen anzeigen
PBB NO 155C21015500 PBB-No. 155HexaBr PBB 2.2`.4.4`.6.6`-Hexabromobiphenyl
UNII-642OIA2442NSC157312PBB No. 155SCHEMBL11474986MSK6421LNFYSRMCCKKDEH-UHFFFAOYSA-NJCA26108MSK6421-100T

Datenbank-Bezeichner

CAS
59261-08-4
PubChem CID
93322
DTXSID
DTXSID4074772
UNII
642OIA2442
Nikkaji
J591.253I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,7
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
1
Schwere Atome
18
Formalladung
0
Komplexität
234

Physikochemische Eigenschaften

Schmelzpunkt
179 · 179-180 °C(Solv: hexane (110-54-3))
Siedepunkt
458.3 · 458.3±40.0 °C(Predicted)
Dichte
2.492 · 2.492±0.06 g/cm3(Predicted)
Löslichkeit
Chloroform (Slightly)
Aggregatzustand
Solid
Farbe
White
InChI
InChI=1S/C12H4Br6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H
InChIKey
LNFYSRMCCKKDEH-UHFFFAOYSA-N
SMILES
C1(C2=C(Br)C=C(Br)C=C2Br)=C(Br)C=C(Br)C=C1Br
EPA chemische Informationen
155 · PBB 155 (59261-08-4)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Sicherheit und Schutzausrüstung

Minimum Risk LevelAcute Oral: 0.01 mg/kg/day (L134)

Toxikologische Informationen

Treatment · 1 Eintrag

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health EffectsPBB exposure may cause weight loss, skin disorders (such as acne), nervous and immune systems effects, and effects on the liver, kidneys, and thyroid gland. (L628)
Exposure RoutesOral (L628) ; inhalation (L628) ; dermal (L628)
Toxicity Summary · 1 Eintrag

The exact mechanism of toxicty of PBBs varies depending on the specific congener. The predominant interaction is believed to involve the aryl hydrocarbon receptor (AhR). PBBs bind to and activate the AhR, which in turn initiates the transcriptional upregulation of a number of genes, affecting biochemical and endocrine pathways, cell cycle regulation, morphogenesis, oxidative stress response, and various other processes. This results in the numerous toxic responses characteristic of PBBs. Some of the known induced genes include the cytochrome P-450-dependent monooxygenases CYP1A1 and CYP1A2. (L628)

Signs and SymptomsSymptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629)

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

PBBs can be absorbed via oral, inhalation, and dermal routes. Due to their lipophilic nature, PBBs, especially the highly brominated congeners, tend to accumulate in lipid-rich tissues such as the liver, adipose, skin, and breast milk. Certain PBB compounds are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 of the type induced by phenobarbital. The rate of metabolism may depends on the bromine substitution pattern. PBB congeners of low bromine content are transformed into hydroxylated derivatives that are predominately eliminated in the urine. Highly brominated congeners are either retained or excreted unchanged in the feces. (L628)

Verwendung und Herstellung

Uses · 1 Eintrag

PBBs can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2,4,6-TRIBROMOIODOBENZENE1,3,5-Tribrombenzol

Anbieter20 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司

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