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2,2',5,5'-テトラブロモ-1,1'-ビフェニル

2,2',5,5'-Tetrabromobiphenyl

HCID 591322
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
59080-37-4
標準SMILES
Brc1ccc(Br)c(-c2cc(Br)ccc2Br)c1
InChIKey
XEFMFJLRXHQLEM-UHFFFAOYSA-N
分子式
C12H6Br4
平均分子量
469.79 g/mol
単同位体質量
465.7203

概要

2,2',5,5'-Tetrabromobiphenyl 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)

名称と識別子

優先名称
2,2',5,5'-Tetrabromobiphenyl
IUPAC
1,4-dibromo-2-(2,5-dibromophenyl)benzene
現地名
2,2',5,5'-テトラブロモ-1,1'-ビフェニル
英語名
2,2',5,5'-Tetrabromobiphenyl
分子式
C12H6Br4
分子量
469.79

名称と別名

2,2',5,5'-Tetrabromobiphenyl59080-37-41,4-dibromo-2-(2,5-dibromophenyl)benzeneY2L95447R5DTXSID201009900RefChem:80644DTXCID201436331PBB 52PBB No. 52PBB-No. 522,2',5,5'-Tetrabromobiphenyl (PBB 52)2,2',5,5'-Tetrabromo-1,1'-biphenyl
名称をさらに表示
2,2',5,5'-テトラブロモビフェニル2,2',5,5'-テトラブロモ-1,1'-ビフェニル2,2′,5,5′‐テトラブロモビフェニル標準品2,2′,5,5′‐テトラブロモビフェニル標準液2,2′,5,5′-テトラブロモビフェニル2,2′,5,5′-テトラブロモ-1,1′-ビフェニル2,2′,5,5′-テトラブロモビフェニル標準品2,2′,5,5′-テトラブロモビフェニル標準液PBB NO 52C21005200 PBB-No. 52PBB-No. 52 in n-HexaneNicotinamide Impurity 2091,1'-Biphenyl,2,2',5,5'-tetrabromo-2,2 ', 5,5' - Tetrabromobiphenyl (BB-52)
UNII-Y2L95447R52,2',5,5'-Tetrabromo-1,1'-biphenyl; 2,2',5,5'-Tetrabromobiphenyl; 2,5,2',5'-Tetrabromobiphenyl; PBB 52SCHEMBL3407646SCHEMBL3407649SCHEMBL28453298MSK6416PBB 052JCA08037

物性

構造計算による物性

XLogP
6.4
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
16
形式電荷
0
複雑度
209

実験および物理化学的性質

Collision Cross Section164.9 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

物理化学的性質

融点
143 °C · 143°C
沸点
343.36 °C · 343.36°C (rough estimate)
比重(密度)
2.077 · 2.0770 (rough estimate)
屈折率
1.704 · 1.7040 (estimate)
貯蔵温度
-20 °C · -20°C Freezer
溶解性
アセトニトリル(微量)、クロロホルム(微量)
外見
個体
色
ホワイトからオフホワイト
水溶解度
4.054 g/L · 4.054g/L(26.5℃)
EPAの化学物質情報
52 · PBB 052 (59080-37-4)

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。

安全と保護具

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

毒性情報

Treatment · 1 件

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 件

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)
Carcinogen Classification2A, probably carcinogenic to humans. (L135)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)

用途と製造

Uses · 1 件

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)

応用分野 · 1 件

使用PBB 52 is a related compound of PBB 37 (P215150), a brominated biphenyls that can be used as a flame retardant and often incorporated into consumer products including appliances, electronics and plastics. PBB 52 is also a persistent organic pollutant.

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
59080-37-4
PubChem CID
591322
DTXSID
DTXSID201009900
UNII
Y2L95447R5
Nikkaji
J105.929G

安全データ

PRTR法
第2種指定化学物質
化審法
監視化学物質
安衛法
57,57-2
消防法
危-4-1-II
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