dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane

• ChemBase编号: 128412
• 分子式: C10Cl12
• 平均质量: 545.543
• 单一同位素质量: 539.62623216
• SMILES: ClC12C3(C(Cl)(Cl)C4(C5(C3(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C24Cl)Cl)Cl)Cl
• Canonical SMILES: ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• InChI: InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18
• InChIKey: GVYLCNUFSHDAAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dodecachloropentacyclo[5.3.0.0^2,^6.0^3,^9.0^4,^8]decane
• IUPAC传统名: mirex
• 别名: 灭蚁灵 溶液; 十二氯五环癸烷; 灭蚁灵; Mirex solution; Mirex; Perchloropentacyclodecane; Mirex; 1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta[cd]pentalene; Dechlorane; Dodecachlor; NSC 124102; NSC 26107; NSC 37656; Paramex; Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene; Perchloropentacyclo[5.3.0.02,6.03,9.04,8]decane; Mirex (Dechlorane 4070)

登记号

• CAS号: 2385-85-5
• EC号: 219-196-6; 200-835-2
• MDL号: MFCD00167995
• Beilstein号: 5605269
• PubChem SID: 24862248; 24869341; 24899280; 24872577; 162222719
• PubChem CID: 16945
• KEGG ID: C14184
• 维基百科标题: Mirex

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.6330996
• LogD (pH = 7.4): 7.6330996
• Log P: 7.6330996
• 摩尔折射率: 92.3588 cm^3
• 极化性: 38.706295 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 485°C
• 闪点: 2 °C; 35.6 °F

安全信息

• RTECS编号: PC8225000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648; 2811
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-20/21/22-36; 63-21/22-40-50/53-62-64
• 安全公开号: 13-36/37-46-60-61; 16-36/37
• GHS危险品标识: GHS02; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H302-H312-H319-H332; H302-H312-H351-H361fd-H362-H410
• GHS警示性声明: P210-P280-P305 + P351 + P338; P263-P273-P280-P501; P263-P273-P281-P501
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1648 3/PG 2; UN 2811 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in acetonitrile
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 100 mg; ampule of 500 mg
• 适用性: suitable for Group 22 per MISA (Canada)
• 特征: standard type calibration
• Empirical Formula (Hill Notation): C10Cl12

详细说明

Sigma Aldrich - 45887

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 36170

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - M364970

An insecticide for fire ants. Formerly used as a fire retardant for plastics, rubber, paint, paper, electric goods. Reasonably anticipated to be a human carcinogen.

参考文献

• Kaiser, K. et al.: Environ. Sci. Technol., 12, 520 (19780; Schlatterer, K. et al.: Antican. Res., 19, 385 (1999)
• Ares, J., Agric. Ecosys. Env., 103, 48 (1999)