1,2,3,4,5-pentabromo-6-pentabromophenoxybenzene

• ChemBase编号: 73510
• 分子式: C12Br10O
• 平均质量: 959.1678
• 单一同位素质量: 949.17828462
• SMILES: O(c1c(c(c(c(c1Br)Br)Br)Br)Br)c1c(c(c(c(c1Br)Br)Br)Br)Br
• Canonical SMILES: Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br
• InChI: InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
• InChIKey: WHHGLZMJPXIBIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4,5-pentabromo-6-pentabromophenoxybenzene
• IUPAC传统名: decabromodiphenyl ether
• 别名: 五溴苯基醚; 十溴二苯醚; 十溴二苯醚; 十溴联苯醚 溶液; BDE No 209 溶液; 双(五溴苯基)醚; Pentabromophenyl ether; Decabromodiphenyl ether; Decabromodiphenyl ether solution; Decabromodiphenyl oxide; BDE No 209 solution; DecaBDE; Deca-BDE; BDE-209; Decabromodiphenyl ether; Decabromodiphenyl ether; Bis(pentabromophenyl) ether; 6,6'-Oxybis(1,2,3,4,5-pentabromobenzene); Bis(pentabromophenyl) ether

登记号

• CAS号: 1163-19-5
• EC号: 214-604-9
• MDL号: MFCD00000059
• Beilstein号: 2188438
• PubChem SID: 162038429; 24851652; 24860705
• PubChem CID: 14410
• CHEMBL: 229975
• Chemspider ID: 13764
• KEGG ID: C19383
• 维基百科标题: Decabromodiphenyl_ether

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 11.161059
• LogD (pH = 7.4): 11.161059
• Log P: 11.161059
• 摩尔折射率: 128.5268 cm^3
• 极化性: 52.07465 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: 20-30 μg/litre in water
• 外观: White or pale yellow solid
• 熔点: >300 °C(lit.); 294–296 °C; 294-296°C; 303-310 °C; 304-308°C
• 沸点: 425 °C (decomposition)
• 闪点: 10.4 °F; -12 °C; 241 °C
• 密度: 3; 3.000; 3.364 g/cm^3 solid

安全信息

• 保存注意事项: Irritant
• RTECS编号: KN3525000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN3152
• 德国WGK号: 1; 2
• 联合国危险货物等级: 3; 9
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 20/21/22; 22-40-41-53; 63-11-38-48/20-50/53-65-67; none
• 安全公开号: 16-36/37-61-62; 26-36/37/39-61; 36/37; none
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• 主要危害: Xn
• GHS危险声明: H225-H304-H315-H336-H361d-H373-H410; H301-H318-H351-H413; H302-H312-H332
• GHS警示性声明: P210-P261-P273-P281-P301 + P310-P331; P280; P280-P301+P310-P305+P351+P338-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (AT); 95+%; 98%; 99%
• 浓度: 50 μg/mL in isooctane:toluene (9:1)
• 级别: analytical standard, for environmental analysis; purum
• 线性分子式: C6Br5OC6Br5
• Empirical Formula (Hill Notation): C12Br10O

详细说明

Apollo Scientific Ltd - OR01609

Possible carcinogen

Sigma Aldrich - 194425

包装
100 g in poly bottle