基本情報
- CAS
40088-47-9- 標準SMILES
Brc1ccc(Oc2ccc(Br)c(Br)c2Br)cc1- InChIKey
ARERIMFZYPFJAV-UHFFFAOYSA-N- 分子式
- C12H6Br4O
- 平均分子量
- 485.79 g/mol
- 単同位体質量
- 481.71522
概要
Persistent environmental pollutants, detected in fish and human breast milk. Tetrabromodiphenyl ethers is present in land-applied sewage sludge.
名称と識別子
- 優先名称
- Tetrabromodiphenyl ethers
- IUPAC
- 1,2,3-tribromo-4-(4-bromophenoxy)benzene
- 現地名
- テトラブロモジフェニルエーテル
- 英語名
- diphenyl ether, tetrabromo derivative
- 分子式
- C12H6Br4O
- 分子量
- 485.79144
名称と別名
1,2,3-tribromo-4-(4-bromophenoxy)benzeneTetrabromobiphenyl etherTetrabromodiphenyl oxideDiphenyl ether, tetrabromo derivativeBenzene, 1,1'-oxybis-, tetrabromo derivBenzene, 1,1'-oxybis-, tetrabromo deriv.HSDB 7112RefChem:896725Benzene, 1,1'oxybis, tetrabromo deriv.446254-31-52,3,4,4'-Tetrabromodiphenyl etherPBDE 60
名称をさらに表示
テトラブロモジフェニルエーテルテトラブロモジフェニルエテルテトラブロモ（フェノキシベンゼン）テトラブロモビフェニルエーテルポリブロモジフェニルエーテル（臭素数が４～７のものに限る。）2,3,3',4-テトラブロモジフェニルエーテル IN ISOOCTANE2,3,3',4-テトラブロモジフェニルエーテル, 50 µg/mL in IsooctaneTETRABROMODIPHENYLETHERTeyrabromodiphenylrtherTETRABROMODIPHENYLOXIDE1,1'-oxybis-benzen tetrabromo deriv.Benzene, 1,1-oxybis-, tetrabromo deriv.
Benzene, 1,2,3-tribromo-4-(4-bromophenoxy)-UNII-3L996AWV6J3L996AWV6JToluene, dibromo derivativeBDE-60SCHEMBL22361231DTXSID30879882ARERIMFZYPFJAV-UHFFFAOYSA-N
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 243
実験および物理化学的性質
PolymersOther Classes -> Halogenated Polyaromatics
LogP6.05
Physical DescriptionComposition of commercial Tetrabromodiphenyl ether: 7.6% polybrominated diphenyl ethers, 41-41.7% tetrabromodiphenyl ether, 44.4-45% pentabromodiphenyl ether and 6-7% hexabromodiphenyl ether." [HSDB]
物理化学的性質
- 沸点
- 263 °C · 263°C (rough estimate)
- 比重(密度)
- 2.2362 · 2.2362 (rough estimate)
- 屈折率
- 1.5 · 1.5000 (estimate)
- EPAの化学物質情報
- Tetrabromodiphenyl ether (40088-47-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory Information
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Diphenyl ether, tetrabromo derivative
Hazards Summary
The primary health concerns of polybrominated flame retardants are their potential to act as carcinogens, endocrine disruptors, and neurodevelopmental toxicants; Polybrominated diphenyl ethers (PBDPEs) may have effects on the liver and possibly the thyroid; The majority of the absorbed tetrabromdiphenyl ether is stored in adipose tissue; Adverse effects may include lowering of the serum and total T4 thyroid hormone; [NICNAS: Polybrominated Flame Retardants - 2001] See Phenyl ether.
安全と保護具
Minimum Risk LevelIntermediate Inhalation: 0.006 mg/m3 (L134)
Acute Oral: 0.03 mg/kg/day (L134)
Intermediate Oral: 0.007 mg/kg/day (L134)
毒性情報
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.
Health EffectsPolybrominated diphenyl ethers may affect the thyroid gland and liver. Animals studies have also shown that PDBEs can cause neurobehavioral alterations and affect the immune system. (L628)
化学と産業
薬理情報
Metabolism/Metabolites
Polybrominated biphenyls can be absorbed through oral, inhalation, and dermal routes. Once in the body they distribute throughout and bioaccumulate in the blood, breast milk, and adipose tissue. The extent of PBDE metabolism depends on the degree of bromination. Metabolism is believed to involve debromination and methylation, resulting in phenolic metabolites. Metabolized and unmetabolized PDBE compounds are excreted mainly in the faeces. (L628, L881)
Cellular LocationsMembrane
用途と製造
Uses
Used as flame retardants, typically at 3 to 12% of the product; Workers may be exposed during the weighing and mixing of flame retardant resins and polymers; [NICNAS: Polybrominated Flame Retardants - 2001]
Polybrominated diphenyl ethers (PBDEs) are flame-retardant chemicals found in plastics used in a variety of consumer products to make them difficult to burn. Because they are mixed into plastics and foams rather than bound to them, PBDEs can leave the products that contain them and enter the environment. (L628)
General Manufacturing InformationBenzene, 1,1'-oxybis-, tetrabromo deriv.: ACTIVE
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