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2589-15-3

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Basic Information
CAS No.: 2589-15-3
Name: 4,7-METHANOINDAN,1,4,5,6,7,8,8-HEPTACHLORO-3A,4,7,7A-TETRAHYDRO-
Molecular Structure:
Molecular Structure of 2589-15-3 (4,7-METHANOINDAN,1,4,5,6,7,8,8-HEPTACHLORO-3A,4,7,7A-TETRAHYDRO-)
Formula: C10H7 Cl7
Molecular Weight: 375.32
Synonyms: 4,7-Methanoindan,1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- (6CI,7CI,8CI); Heptachlor, a-dihydro-
Density: 1.75g/cm3
Boiling Point: 389.2°Cat760mmHg
Flash Point: 189.4°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.
PSA: 0.00000
LogP: 5.46550
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Chemistry

Molecule structure of Shell SD-10576 (CAS NO.2589-15-3) :

Molecular Weight: 375.33358 g/mol
Molecular Formula: C10H7Cl7 
Density: 1.75 g/cm3 
Boiling Point: 389.2 °C at 760 mmHg 
Flash Point: 189.4 °C
Index of Refraction: 1.621
Molar Refractivity: 75.46 cm3
Molar Volume: 214.4 cm3
Polarizability: 29.91×10-24 cm3
Surface Tension: 52.5 dyne/cm 
Enthalpy of Vaporization: 61.35 kJ/mol
Vapour Pressure: 6.51E-06 mmHg at 25 °C
XLogP3-AA: 4.6
Exact Mass: 373.833794
MonoIsotopic Mass: 371.836744
Heavy Atom Count: 17
Complexity: 430 
Canonical SMILES: C1CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H7Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h3-5H,1-2H2
InChIKey of Shell SD-10576 (CAS NO.2589-15-3) : DRKYTUDHOKREMS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:2000 mg/kg

     ARSIM*    Agricultural Research Service, USDA Information Memorandum. 20 (1966),21.
2.    

orl-mus LD50:2000 mg/kg

     ARSIM*    Agricultural Research Service, USDA Information Memorandum. 20 (1966),21.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.

Specification

 Shell SD-10576 (CAS NO.2589-15-3) is also called 1,4,5,6,7,8,8-Heptachloro-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene ; 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,5,6,7,7a-hexahydro- ; BRN 2508155 ; ENT 27,313 ; SD-10576 ; 4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- .