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| CAS No.: | 28044-83-9 |
|---|---|
| Name: | CIS-HEPTACHLOREPOXIDE EXO-, ISOMER B |
| Molecular Structure: | |
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|
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| Formula: | C10H5Cl7O |
| Molecular Weight: | 389.32 |
| Synonyms: | 2,5-Methano-2H-indeno[1,2-b]oxirene,2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1ba,2b,5b,5aa,6a,6aa)-;4,7-Methanoindan,1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, endo,endo- (8CI);Heptachlor endo-epoxide;Heptachlor epoxide A;Heptachlor trans-oxide;trans-Heptachlor epoxide; |
| EINECS: | 200-659-6 |
| Density: | 1.91 g/cm3 |
| Boiling Point: | 425.5 °C at 760 mmHg |
| Flash Point: | 162.2 °C |
| Hazard Symbols: |
 T, F, N
|
| Risk Codes: | 11-23/24/25-39/23/24/25-40-33-50/53 |
| Safety: | 7-16-45-36/37-61-60 |
| Transport Information: | UN 1230 |
| PSA: | 12.53000 |
| LogP: | 4.45270 |
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Specification
The 2,5-Methano-2H-indeno[1,2-b]oxirene,2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-,(1aR,1bR,2S,5R,5aS,6R,6aR)-rel-, with the CAS registry number 28044-83-9, is also known as Heptachlor endo-epoxide. It belongs to the product categories of Alpha sort; Cyclodienes Pesticides & Metabolites; Insecticides; Metabolites Method Specific; Oeko-Tex Standard 100; Pesticides & Metabolites. This chemical's molecular formula is C10H5Cl7O and formula weight is 389.32. What's more, its systematic name is (1aS,1bR,5aS,6R,6aS)-2,3,4,5,6,7,7-heptachloro-1b,2,5,5a,6,6a-hexahydro-1aH-2,5-methanoindeno[1,2-b]oxirene.
Physical properties of 2,5-Methano-2H-indeno[1,2-b]oxirene,2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-,(1aR,1bR,2S,5R,5aS,6R,6aR)-rel- are: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.47; (4)ACD/BCF (pH 5.5): 8435.63; (5)ACD/KOC (pH 5.5): 22485.64; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 12.53 Å2; (10)Index of Refraction: 1.661; (11)Molar Refractivity: 75.12 cm3; (12)Molar Volume: 203 cm3; (13)Surface Tension: 59.6 dyne/cm; (14)Density: 1.91 g/cm3; (15)Flash Point: 162.2 °C; (16)Enthalpy of Vaporization: 65.39 kJ/mol; (17)Boiling Point: 425.5 °C at 760 mmHg; (18)Vapour Pressure: 4.71E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is toxic by inhalation, in contact with skin and if swallowed. It is toxic as it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. It has limited evidence of a carcinogenic effect. It has the danger of cumulative effects. It is very toxic to aquatic organisms. What's more, it may cause long-term adverse effects in the aquatic environment. You must keep the container tightly closed. This material and its container must be disposed of as hazardous waste. It should be avoided releasing to the environment just refering to special instructions/safety data sheet. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When using it, you should wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C(/Cl)C2(Cl)C(Cl)(Cl)C1(Cl)[C@H]4[C@@H]2[C@@H]3O[C@@H]3[C@@H]4Cl
(2)InChI: InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8?,9?/m0/s1
(3)InChIKey: ZXFXBSWRVIQKOD-TTWWGNBVSA-N