基本情報
- CAS
87-83-2- 標準SMILES
Cc1c(Br)c(Br)c(Br)c(Br)c1Br- InChIKey
OZHJEQVYCBTHJT-UHFFFAOYSA-N- 分子式
- C7H3Br5
- 平均分子量
- 486.62 g/mol
- 単同位体質量
- 481.61516
概要
Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)
名称と識別子
- 優先名称
- Pentabromotoluene
- IUPAC
- 1,2,3,4,5-pentabromo-6-methylbenzene
- 現地名
- 2,3,4,5,6-ペンタブロモトルエン
- 英語名
- 2,3,4,5,6-Pentabromotoluene
- 分子式
- C7H3Br5
- 分子量
- 486.62
名称と別名
2,3,4,5,6-PENTABROMOTOLUENEPentabromotoluene87-83-2Flammex 5btPentabromomethylbenzene1,2,3,4,5-Pentabromo-6-methylbenzeneBenzene, pentabromomethyl-Toluene, 2,3,4,5,6-pentabromo-DTXSID302583387007N97G5Benzene, 1,2,3,4,5-pentabromo-6-methyl-2,3,4,5,6-PENTABROMOMETHYLBENZENE
名称をさらに表示
2,3,4,5,6-ペンタブロモトルエン1-メチル-2,3,4,5,6-ペンタブロモベンゼンフラメックス5BTペンタブロモトルエンﾍﾟﾝﾀﾌﾞﾛﾓｱﾙｷﾙ(C=1~2)ﾍﾞﾝｾﾞﾝペンタブロモトルエン STANDARDペンタブロモトルエン Standard, 100 µg/mL in Tolueneﾍﾟﾝﾀﾌﾞﾛﾓｱﾙｷﾙ(C=1˜2)ﾍﾞﾝｾﾞﾝ2,3,4,5,6-Pentabromotoluene 98%Flamex 5BT2,3,4,5,6-PENTABROMO1,2,3,4,5-PENTABROMOTOLUENE2,3,4,5,6-PENTABROMTOLUOL 99%2,3,4,5,6-Pentabromotoluene>
RefChem:441624DTXCID205833201-774-4MFCD00000060Benzene, methyl-, pentabromo deriv.26101-97-387-83-2; 26101-97-3(replacedby87-83-2)C7H3Br5
物性
構造計算による物性
- XLogP
- 5.7
- 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
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 146
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Monoaromatics
Density2.97 at 63 °F (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (<1 mg/ml) (NTP, 1992)
Melting Point550 °F (NTP, 1992)
Vapor Pressure0.0000108 [mmHg]
Physical Description
Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)
Colorless solid; [CAMEO] White solid; [MSDSonline]
物理化学的性質
- 融点
- 285 · 285-286 °C(lit.)
- 沸点
- 356.78 °C · 356.78°C (rough estimate)
- 比重(密度)
- 3.0088 · 3.0088 (rough estimate)
- 屈折率
- 1.6303 · 1.6303 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- ベンゼン（微量）、クロロホルム（微量、加温）、DMSO（微量、加温）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzene, pentabromomethyl-
Hazard Traits - Developmental Toxicity
Fire HazardsFlammability data for this compound is not available but it is probably nonflammable. (NTP, 1992)
Hazards SummaryCauses other changes to liver/kidneys, normocytic anemia, and changes in thyroid weight in feeding studies of rats; [RTECS] An irritant; [MSDSonline]
Reactive GroupAryl Halides
Reactivity Profile
Simple aromatic halogenated organic compounds are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
化学と産業
薬理情報
Absorption, Distribution and Excretion
ADMIN TO JUVENILE ATLANTIC SALMON (SALMO SALAR) IN WATER & FOOD BROMINATED TOLUENES HAVE RELATIVELY LOW ACCUMULATION COEFFICIENTS.
FOLLOWING EXPOSURE OF SALMON TO PENTABROMOTOLUENE FOR 48 HR & THEN PLACED IN CLEAN WATER CONCN IN FISH TISSUE DECR EXPONENTIALLY & WAS 2-3 TIMES MORE PERSISTENT THAN CHLORINATED DIPHENYL ETHERS.
用途と製造
General Manufacturing InformationBenzene, 1,2,3,4,5-pentabromo-6-methyl-: ACTIVE
応用分野
用途有機合成原料。
使用2,3,4,5,6-Pentabromotoluene is a brominated flame retardant. It is considered as an air pollutant.
上流・下流製品情報
上流原料
サプライヤー80 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司
関連反応
2 件
化合物ノート
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