2,2'-Dibromobiphenyl
Grundinformationen
- CAS
13029-09-9- Standard-SMILES
Brc1ccccc1-c1ccccc1Br- InChIKey
DRKHIWKXLZCAKP-UHFFFAOYSA-N- Summenformel
- C12H8Br2
- Durchschnittliche Molmasse
- 312 g/mol
- Monoisotopische Masse
- 309,89928
Überblick
2,2'-Dibromobiphenyl 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'-Dibromobiphenyl
- IUPAC
- 1-bromo-2-(2-bromophenyl)benzene
- Englischer Name
- 2,2'-Dibromobiphenyl
- Summenformel
- C12H8Br2
- Molmasse
- 312
Namen und Synonyme
2,2'-Dibromobiphenyl13029-09-92,2'-Dibromo-1,1'-biphenyl1,1'-Biphenyl, 2,2'-dibromo-1-bromo-2-(2-bromophenyl)benzeneo,o'-DibromobiphenylBiphenyl, 2,2'-dibromo-UNII-GSL06P6P2LGSL06P6P2LPBB 4NSC 91566NSC-91566
Weitere Namen anzeigen
2,2'-DBBPBB NO 42,2-Dibromophenyl2,2'-Diromo biphenyl2,2′-dibroModiphenyl
DTXSID50747612'-Dibromo-biphenylRefChem:80700DTXCID0033966Biphenyl, 2,2'-dibromo-(8CI)1,1'-Biphenyl, 2,2'-dibromo-(9CI)625-732-3DRKHIWKXLZCAKP-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
13029-09-9- PubChem CID
- 83060
- DTXSID
DTXSID5074761- ChEMBL
CHEMBL267917- UNII
- GSL06P6P2L
- EC Number
- 625-732-3
- Nikkaji
- J81.532B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 161
Physikochemische Eigenschaften
- Schmelzpunkt
- 79 · 79-83 °C
- Siedepunkt
- 332.9 · 332.9±17.0 °C(Predicted)
- Dichte
- 1.667 · 1.667
- Dampfdruck
- 0.007 · 0.007-0.27Pa at 20-50℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Acetone (Sparingly), Benzene (Sparingly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- Wasserlöslichkeit
- Insoluble in water.
- InChI
- InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
- InChIKey
- DRKHIWKXLZCAKP-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2Br)=CC=CC=C1Br
- LogP
- 4.6 at · 4.6 at 25℃ and pH6.2
- CAS Datenbank
- 13029 · 13029-09-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,1'-Biphenyl, 2,2'-dibromo- (13029-09-9)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 2,2'-dibromobiphenyl (EC: 625-732-3)
Hazard Classes and CategoriesAcute Tox. 4 (86.7%)
Sicherheit und Schutzausrüstung
Minimum Risk LevelAcute Oral: 0.01 mg/kg/day (L134)
Toxikologische Informationen
Treatment
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.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
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
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
Verwenden2,2'-Dibromobiphenyl is used to produce 5,5-dimethyl-5H-dibenzosilole at the temperature of -78 - 20°C. It will need reagent n-BuLi and solvents diethyl ether, hexane.
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