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Chlordene

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Name

Chlordene

EINECS 223-096-8
CAS No. 3734-48-3 Density 1.732 g/cm3
PSA 0.00000 LogP 5.02420
Solubility 773ug/L(26.70 oC) Melting Point -62°C
Formula C10H6Cl6 Boiling Point 357.208 °C at 760 mmHg
Molecular Weight 338.876 Flash Point 170.273 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39-45 Risk Codes 20-21-23-63
Molecular Structure Molecular Structure of 3734-48-3 (CHLORDENE) Hazard Symbols ToxicT
Synonyms

4,7-Methanoindene,4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro- (6CI,7CI,8CI);4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene;

 

Chlordene Consensus Reports

Reported in EPA TSCA Inventory.

Chlordene Specification

The Chlordene, with the CAS registry number 3734-48-3, is also known as 4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene. Its EINECS number is 223-096-8. This chemical's molecular formula is C10H6Cl6 and molecular weight is 338.87. What's more, its systematic name is 1,7,8,9,10,10-Hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene. Its classification codes are: (1)Agricultural Chemical; (2)Human Data; (3)Reproductive Effect; (4)Skin / Eye Irritant. It is found in chlordan & is also a metabolite of chlordan. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.

Physical properties of Chlordene are: (1)ACD/LogP: 5.553; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 5.55; (5)ACD/BCF (pH 5.5): 9776.81; (6)ACD/BCF (pH 7.4): 9776.81; (7)ACD/KOC (pH 5.5): 24990.38; (8)ACD/KOC (pH 7.4): 24990.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 70.566 cm3; (14)Molar Volume: 195.67 cm3; (15)Polarizability: 27.974×10-24cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.732 g/cm3; (18)Flash Point: 170.273 °C; (19)Enthalpy of Vaporization: 57.88 kJ/mol; (20)Boiling Point: 357.208 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and in contact with skin. It is toxic by inhalation, and it has a possible risk of harm to the unborn child. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C2=C(/Cl)C3(Cl)C1\C=C/CC1C2(Cl)C3(Cl)Cl
(2)Std. InChI: InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2
(3)Std. InChIKey: XCJXQCUJXDUNDN-UHFFFAOYSA-N  

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LCLo inhalation 2gm/m3 (2000mg/m3)   Yakkyoku. Pharmacy. Vol. 30, Pg. 505, 1979.
human LDLo oral 583mg/kg (583mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 505, 1979.
human LDLo skin 69mg/kg (69mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 505, 1979.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 967, 1975.
rat LC50 inhalation 2gm/m3 (2000mg/m3)   Yakkyoku. Pharmacy. Vol. 30, Pg. 505, 1979.
rat LD50 skin 690mg/kg (690mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 505, 1979.

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