(1R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ6-thiatricyclo[7.2.1.02,8]dodec-10-ene-5,5-dione

• ChemBase编号: 157083
• 分子式: C9H6Cl6O4S
• 平均质量: 422.92454
• 单一同位素质量: 419.81179575
• SMILES: C1C2C(COS(=O)(=O)O1)[C@@]1(C(=C([C@]2(C1(Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl
• InChI: InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3?,4?,7-,8+
• InChIKey: AAPVQEMYVNZIOO-WINLOITPSA-N

名称和登记号

名称

• IUPAC标准名: (1R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ^6-thiatricyclo[7.2.1.0^2,^8]dodec-10-ene-5,5-dione
• IUPAC传统名: (1R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ^6-thiatricyclo[7.2.1.0^2,^8]dodec-10-ene-5,5-dione
• 别名: 硫丹硫酸酯 溶液; 硫丹硫酸酯; Endosulfan sulfate solution; Endosulfan sulfate

登记号

• CAS号: 1031-07-8
• EC号: 203-777-6; 204-079-4
• MDL号: MFCD00151179
• PubChem SID: 162251220; 24899298; 24862701; 24869474; 24872134; 24872219
• PubChem CID: 71312398

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.161313
• LogD (pH = 7.4): 3.161313
• Log P: 3.161313
• 摩尔折射率: 78.419 cm^3
• 极化性: 32.215706 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 11 °C; -14.8 °F; -26 °C; 51.8 °F

安全信息

• RTECS编号: RB9150000; RB9275000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 剧毒(Highly toxic) (T+); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1208; 1230; 2811
• 德国WGK号: 1; 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
• 危险公开号: 11-23/24/25-39/23/24/25; 11-38-48/20-51/53-62-65-67; 21-26/28-50/53; 28-50/53
• 安全公开号: 22-24/25-45-60-61; 28-36/37-45-60-61-63; 7-16-36/37-45; 9-16-29-33-36/37-61-62
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H331-H370; H225-H304-H315-H336-H361f-H373-H411; H300 +H310 + H330-H410; H300-H400
• GHS警示性声明: P210-P260-P280-P301 + P310-P311; P210-P261-P273-P281-P301 + P310-P331; P260-P264-P273-P280-P284-P301 + P310; P264-P273-P301 + P310
• 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); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1208 3/PG 2; UN 1230 3/PG 2; UN 2811 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in hexane; 20 μg/mL in methanol
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1 mL; ampule of 100 mg; ampule of 50 mg
• Empirical Formula (Hill Notation): C9H6Cl6O4S

详细说明

Sigma Aldrich - 36676

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

Sigma Aldrich - 31555

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

Sigma Aldrich - 45853

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