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2,2',3,3',4,4',5,5'-Octabromobiphenyl

HCID 119294
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Grundinformationen

CAS
67889-00-3
Standard-SMILES
Brc1cc(-c2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br
InChIKey
HHYHNDNRLUQCEG-UHFFFAOYSA-N
Summenformel
C12H2Br8
Durchschnittliche Molmasse
785,4 g/mol
Monoisotopische Masse
777,36234686

Überblick

2,2',3,3',4,4',5,5'-Octabromobiphenyl 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',3,3',4,4',5,5'-Octabromobiphenyl
IUPAC
1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenyl)benzene
Englischer Name
octabromobiphenyl
Summenformel
C12H2Br8
Molmasse
785.38

Namen und Synonyme

67889-00-32,2',3,3',4,4',5,5'-octabromobiphenyl1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenyl)benzeneC87IGK9D50RefChem:908466PBB 1942,2',3,3',4,4',5,5'-Octabromobiphenyl (PBB 194)UNII-C87IGK9D50SCHEMBL1352856DTXSID10987252MSK6429SCA88900
Weitere Namen anzeigen
2,23,34,45,5OctabroMobiphenyl2,2',3,3',4,4',5,5'-Octabromodiphenylether1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octabromo-1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octabromo-2,2’,3,3’,4,4’,5,5’-Octabrombiphenyl in Iso-octane2,2 ', 3,3', 4,4 ', 5,5' - octabromobiphenyl (BB-194)
NS000504812,3,4,5,2',3',4',5'-OctabromobiphenylQ27275315

Datenbank-Bezeichner

CAS
67889-00-3
PubChem CID
119294
DTXSID
DTXSID10987252

Eigenschaften

Berechnete Struktureigenschaften

XLogP
9,1
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
1
Schwere Atome
20
Formalladung
0
Komplexität
307

Experimentelle und physikochemische Eigenschaften

Collision Cross Section193 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

Physikochemische Eigenschaften

Schmelzpunkt
235 °C · 235 °C
Siedepunkt
533.3 · 533.3±45.0 °C(Predicted)
Dichte
2.763 · 2.763±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
Löslichkeit
Benzene (Sparingly), Chloroform (Slightly, Heated)
Aggregatzustand
Solid
Farbe
White to Off-White
InChI
InChI=1S/C12H2Br8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H
InChIKey
HHYHNDNRLUQCEG-UHFFFAOYSA-N
SMILES
C1(C2=CC(Br)=C(Br)C(Br)=C2Br)=CC(Br)=C(Br)C(Br)=C1Br

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)

Anwendungen · 1 Eintrag

Verwenden2,2'',3,3'',4,4'',5,5''-Octabromobiphenyl is a polybrominated biphenyl compound that poses toxic dangers to animals, humans and the environment. 2,2'',3,3'',4,4'',5,5''-Octabromobiphenyl is also one of the components of Firemaster FF-1, a polybrominated biphenyl fire retardant.

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郑州阿尔法化工有限公司+86-18530059196 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
上海艾梯西生物科技有限公司

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UNII
C87IGK9D50
Nikkaji
J1.822.681B
Carcinogen Classification2A, probably carcinogenic to humans. (L135)
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