基本情報
- CAS
63387-28-0- 標準SMILES
Brc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br- InChIKey
CYRHBNRLQMLULE-UHFFFAOYSA-N- 分子式
- C12HBr9O
- 平均分子量
- 880.3 g/mol
- 単同位体質量
- 871.26778
概要
Nonabromodiphenyl ethers are organobromine compounds, as well as polybrominated diphenyl ethers containing four bromine atoms. Polybrominated diphenyl ethers (PBDEs) are flame-retardant man-made chemicals found in plastics used in a variety of consumer products to make them difficult to burn. PBDEs exist as mixtures of similar chemicals called congeners. 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)
名称と識別子
- 優先名称
- 2,2',3,3',4,4',5,5',6-Nonabromodiphenyl ether
- IUPAC
- 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
- 現地名
- (2,3,4,5-テトラブロモフェニル)(ペンタブロモフェニル)エーテル
- 英語名
- 2,2',3,3',4,4',5,5',6-nonabromodiphenylether
- 分子式
- C12HBr9O
- 分子量
- 880.27
名称と別名
63387-28-0BDE-206PBDE 2062,2',3,3',4,4',5,5',6-nonabromodiphenyl etherBDE2062O56GK0P1RBenzene, 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)-DTXSID30881107RefChem:854453DTXCID904233Nonabromodiphenyl ether1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
名称をさらに表示
(2,3,4,5-テトラブロモフェニル)(ペンタブロモフェニル)エーテル2,2',3,3',4,4',5,5',6-ノナブロモジフェニルエーテル2,3,4,5-テトラブロモフェニル(ペンタブロモフェニル)エーテル2,2',3,3',4,4',5,5',6-ノナブロモジフェニルエーテル 50ΜG/MLPBDE NO. 2061,2,3,4,5-ペンタブロモ-6-(2,3,4,5-テトラブロモフェノキシ)ベンゼンBDE NO 206 溶液2,2′,3,3′,4,4′,5,5′,6-ノナブロモジフェニルエーテル(2,3,4,5,6-ペンタブロモフェニル)(2,3,4,5-テトラブロモフェニル)エーテル2,3,4,5-テトラブロモフェノキシ-2,3,4,5,6-ペンタブロモベンゼンPBDE No. 206BDE No 206 solutionPBDE 206 50 μg/mL in Toluene2,2',3,3',4',5,5',6-Nonabromodiphenyl ether2,2',3,3',4,4',5,5',6-Nonabromodiphenylether
物性
構造計算による物性
- XLogP
- 9.7
- 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
- 22
- 形式電荷
- 0
- 複雑度
- 370
実験および物理化学的性質
PolymersPolybrominated diphenyl ether
PesticidesPesticide -> EPA IRIS
Collision Cross Section202.1 Ų [M-Br+O]-
物理化学的性質
- 闪点
- -12 °C · -12 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Slightly), Methanol (Slightly), THF (Slightly)
- 外見
- Solid
- 色
- Off-White to Dark Red
- Henry's Law Constant
- 4.7 · 4.7×101 mol/(m3Pa) at 25℃, Long et al. (2017)
- InChI
- InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H
- InChIKey
- CYRHBNRLQMLULE-UHFFFAOYSA-N
- SMILES
- C1(Br)=C(OC2=CC(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br
- EPAの化学物質情報
- 1 · Benzene, 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)- (63387-28-0)
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。
GHS分類
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzene, 1,2,3,4,5-pentabromo-6-(tetrabromophenoxy)-
S - indicates a substance that is identified in a final Significant New Use Rule.
Benzene, pentabromo(tetrabromophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzene, pentabromo(tetrabromophenoxy)-: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
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.
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)
用途と製造
Uses
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, 1,2,3,4,5-pentabromo-6-(tetrabromophenoxy)-: ACTIVE
応用分野
使用1,2,3,4,5-Pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene is a polybrominated diphenyl ethers (PBDEs) found as a contaminant in soil.
上流・下流製品情報
上流原料
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…