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2,2',4,5-テトラブロモ-1,1'-ビフェニル

2,2',4,5'-Tetrabromobiphenyl

HCID 591320
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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
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基本情報

CAS
60044-24-8
標準SMILES
Brc1ccc(-c2cc(Br)ccc2Br)c(Br)c1
InChIKey
LUASYBWZXWTYKK-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',4,5'-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',4,5'-Tetrabromobiphenyl
IUPAC
1,4-dibromo-2-(2,4-dibromophenyl)benzene
現地名
2,2',4,5-テトラブロモ-1,1'-ビフェニル
英語名
2,2',4,5'-Tetrabromobiphenyl
分子式
C12H6Br4
分子量
469.79

名称と別名

60044-24-82,2',4,5'-TETRABROMOBIPHENYLPBB 491,1'-Biphenyl, 2,2',4,5'-tetrabromo-UNII-E944STM85FE944STM85FBiphenyl, 2,2',4',5-tetrabromo-2,2',4,5'-Tetrabromo-1,1'-biphenylRefChem:806292,4-dibromo-1-(2,5-dibromophenyl)benzene2,2',4,5-TETRABROMOBIPHENYL85S3NP1MQX
名称をさらに表示
2,2',4',5-テトラブロモビフェニル2,2',4,5'-テトラブロモビフェニル2,2',4,5-テトラブロモビフェニル2,2',4,5-テトラブロモ-1,1'-ビフェニル2,2',4',5-テトラブロモ-1,1'-ビフェニル2,2′,4,5′‐テトラブロモビフェニル標準液2,2',4,5'-テトラブロモビフェニル (35ΜG/ML イソオクタン溶液)2,2′,4′,5-テトラブロモビフェニル2,2′,4′,5-テトラブロモ-1,1′-ビフェニル2,2′,4,5′-テトラブロモ-1,1′-ビフェニル2,2',4,5'-テトラブロモ-1,1'-ビフェニル2,2′,4,5′-テトラブロモビフェニル2,2′,4,5′-テトラブロモビフェニル標準液PBB NO 49C21004900 PBB No. 49PBB 49 100 μg/ml Cyclohexane2,2',4',5-TETRABROMOBIPHENYLPBB Mix 5 10 μg/mL in Cyclohexane

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
233

実験および物理化学的性質

LogP6.49

物理化学的性質

融点
84 · 84.0-84.5 °C
沸点
405.3 · 405.3±40.0 °C(Predicted)
比重(密度)
2.14 · 2.140±0.06 g/cm3(Predicted)
貯蔵温度
Refrigerator
溶解性
クロロホルム(少量)、メタノール(少量)
外見
個体
色
ホワイトからオフホワイト
EPAの化学物質情報
49 · PBB 049 (60044-24-8)

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

Other Safety InformationPEC / SN / Other assessments - Polybrominated flame retardants (PBFRs): Health and Environment

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)

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

使用PBB 49 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.

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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
2,2',4',5-Tetrabromo-1,1'-biphenyl
Semivolatile Mix, 3-4958, 100 mg/L
1,1'-Biphenyl,2,2',4,5'-tetrabromo-
958802-46-5LUASYBWZXWTYKK-UHFFFAOYSA-NPBB 48UNII-85S3NP1MQX1,4-dibromo-2-(2,4-dibromophenyl)benzenePBB No. 49PBB 49 (2,2',4,5'-Tetrabromobiphenyl)PBB-No. 49

データベース識別子

CAS
60044-24-8
PubChem CID
591320
DTXSID
DTXSID60866785
UNII
E944STM85F
Nikkaji
J105.925D
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)

安全データ

PRTR法
2-54
化審法
監視化学物質
安衛法
57,57-2
消防法
危-4-1-II