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2,3,3',4,4',5,6-ヘプタブロモビフェニル

2,3,3',4,4'5,6-Heptabromobiphenyl

HCID 133255
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基本情報

CAS
79682-25-0
標準SMILES
Brc1ccc(-c2c(Br)c(Br)c(Br)c(Br)c2Br)cc1Br
InChIKey
RKSHLITXOOZMAV-UHFFFAOYSA-N
分子式
C12H3Br7
平均分子量
706.5 g/mol
単同位体質量
699.45184

概要

2,3,3',4,4',5,6-Heptabromobiphenyl 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
2,3,3',4,4'5,6-Heptabromobiphenyl
IUPAC
1,2,3,4,5-pentabromo-6-(3,4-dibromophenyl)benzene
現地名
2,3,3',4,4',5,6-ヘプタブロモビフェニル
英語名
2,3,3',4,4'5,6-heptabromobiphenyl
分子式
C12H3Br7
分子量
706.49

名称と別名

Heptbbp1,1'-Biphenyl, 2,3,3',4,4',5,6-heptabromo-U9UZA0PF5F79682-25-02,3,3',4,4'5,6-Heptabromobiphenyl2,3,3',4,4',5,6-HeptabromobiphenylDTXSID60747541,2,3,4,5-pentabromo-6-(3,4-dibromophenyl)benzeneRefChem:81174DTXCID3048150UNII-U9UZA0PF5F2,3,3',4,4',5,6-heptabromo-1,1'-biphenyl
名称をさらに表示
2,3,3',4,4',5,6-ヘプタブロモビフェニル
PBB 1902,3,3',4,4',5,6-heptabromobi-phenylNS00125026Q27290970

データベース識別子

CAS
79682-25-0
PubChem CID
133255
DTXSID
DTXSID6074754
UNII
U9UZA0PF5F
Nikkaji
J1.304.086I

物性

構造計算による物性

XLogP
8.4
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
19
形式電荷
0
複雑度
296

物理化学的性質

EPAの化学物質情報
1 · 1,1'-Biphenyl, 2,3,3',4,4',5,6-heptabromo- (79682-25-0)

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)

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