基本情報
- CAS
21850-44-2- 標準SMILES
CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1- InChIKey
LXIZRZRTWSDLKK-UHFFFAOYSA-N- 分子式
- C21H20Br8O2
- 平均分子量
- 943.6 g/mol
- 単同位体質量
- 935.49303
名称と識別子
- 優先名称
- Tetrabromobisphenol A bis(2,3-dibromopropyl ether)
- IUPAC
- 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
- 現地名
- 2,2-ビス[3,5-ジブロモ-4-(2,3-ジブロモプロポキシ)フェニル]プロパン
- 英語名
- Tetrabromobisphenol A bis(dibromopropyl ether)
- 分子式
- C21H20Br8O2
- 分子量
- 943.61
名称と別名
21850-44-22,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propaneBis(2,3-dibromopropoxy)tetrabromobisphenol ATetrabromobisphenol A bis(2,3-dibromopropyl) etherTBBPA-DBPETetrabromobisphenol A bis(2,3-dibromopropyl ether)YH2252CV631,1'-(Isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]PROPANE, 2,2-BIS(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL)-EINECS 244-617-5Benzene, 1,1'-(1-methylethylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy)-2,2-BIS(4-(2,3-DIBROMOPROPYLOXY)-3,5-DIBROMOPHENYL)PROPANE
名称をさらに表示
2,2-ビス[3,5-ジブロモ-4-(2,3-ジブロモプロポキシ)フェニル]プロパン4,4'-(ジメチルメチレン)ビス[2,6-ジブロモ-1-(2,3-ジブロモプロピルオキシ)ベンゼン]4,4'-イソプロピリデンビス[1-(2,3-ジブロモプロポキシ)-2,6-ジブロモベンゼン]4,4'-ジメチルメチレンビス[2,6-ジブロモ-1-(2,3-ジブロモプロポキシ)ベンゼン]1,1'-(1-メチルエチリデン)ビス[3,5-ジブロモ-4-(2,3-ジブロモプロポキシ)ベンゼン]5,5'-イソプロピリデンビス[1,3-ジブロモ-2-(2,3-ジブロモプロポキシ)ベンゼン]3,3'-[イソプロピリデンビス(2,6-ジブロモ-4,1-フェニレンオキシ)]ビス(1,2-ジブロモプロパン)
物性
構造計算による物性
- XLogP
- 10.6
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 10
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 472
実験および物理化学的性質
Polymers
Plastics -> Flame retardants
Plastics -> N.a.
Flame RetardantsFlame retardants
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; CBI
物理化学的性質
- 融点
- 117 °C · 117°C
- 沸点
- 676.5 · 676.5±55.0 °C(Predicted)
- 比重(密度)
- 2.169 · 2.169±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.029 Pa · 0.029Pa at 20℃
- 貯蔵温度
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 溶解性
- クロロホルム（微量）、DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 144 ng/L · 144ng/L at 20℃
- Henry's Law Constant
- 2.4 · 2.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3
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
This chemical does not meet GHS hazard criteria for 100% (51 of 51) of all reports.
Not Classified
Aggregated GHS information provided per 51 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-
Hazard Traits - Endocrine Toxicity
Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
REACH registered substance: 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene] (EC: 244-617-5)
Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationPEC / SN / Other assessments - Polybrominated flame retardants (PBFRs): Health and Environment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- ridadr
- 3152
- hs_code
- 29093090
- risk_code
- 36/37/38
- 化審法
- (4)-212, (4)-218
- safety_code
- 26-36/37/39
化学と産業
用途と製造
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesFlame retardant
Industry UsesFlame retardant
Use Classification
Plastics -> Flame retardants
Plastics -> Polymer Type -> N.a.
General Manufacturing Information
Custom Compounding of Purchased Resins
Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-: ACTIVE
応用分野
説明Tetrabromobisphenol A bis(2,3-dibromopropyl) ether is part of the group of Brominated and Chlorinated Flame Retardants. FR-50 is a flame retardant containing both aromatic and aliphatic bromine. It's is designed for use in polyolefin and styrenic resins, providing a UL94 V-2 rating. It can also be applied to polypropylene, to reach a V-0 rating.
使用tetrabromobisphenol A bis(dibromopropyl ether),OBE, is an additive brominated flame retardants, can be widely used in polyolefin (pp), high impact polystyrene (HIPS) and ABS and other products.
上流・下流製品情報
上流原料
サプライヤー100 社
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