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6889-41-4

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Basic Information
CAS No.: 6889-41-4
Name: 1,4,5,6,7,7-HEXACHLOROBICYCLO(2.2.1)-5-HEPTENE-2,3-DICARBOXIMIDE
Molecular Structure:
Molecular Structure of 6889-41-4 (1,4,5,6,7,7-HEXACHLOROBICYCLO(2.2.1)-5-HEPTENE-2,3-DICARBOXIMIDE)
Formula: C9H3 Cl6 N O2
Molecular Weight: 369.846
Synonyms: 5-Norbornene-2,3-dicarboximide,1,4,5,6,7,7-hexachloro- (6CI,7CI,8CI); Bicyclo[2.2.1]hept-5-ene-2,3-dicarboximide,1,4,5,6,7,7-hexachloro- (5CI); NSC 22222
Density: 1.7190 (rough estimate)
Boiling Point: 55°C (rough estimate)
Safety: Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 46.17000
LogP: 3.04950
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Chemistry

Molecular Formula C9H3Cl6NO2
Molecular Weight 369.84362g/mol
Systematic Name: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro- (9CI)  ; 5-Norbornene-2,3-dicarboximide, 1,4,5,6,7,7-hexachloro-
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 2
Exact Mass: 368.826544
MonoIsotopic Mass: 366.829495
Topological Polar Surface Area: 46.2
Heavy Atom Count: 18
Formal Charge: 0
Complexity: 501
Canonical SMILES: C12C(C(=O)NC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C9H3Cl6NO2/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,
14)15/h1-2H,(H,16,17,18)
InChIKey: VTOLQEMXZUTSMA-UHFFFAOYSA-N
Structure of  Chlorendic imide (CAS NO.6889-41-4):

Toxicity Data With Reference

1.    

orl-rat LD50:2300 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 26 (4)(1982),49.
2.    

orl-mus LD50:2400 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 26 (4)(1982),49.
3.    

ivn-mus LD50:320 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00789 .

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.

Specification

  Chlorendic imide , its cas register number is 6889-41-4. It also can be called 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboximide ; 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)heptene-2,3-dicarboximide and 5-Norbornene-2,3-dicarboximide, 1,4,5,6,7,7-hexachloro- . When heated to decomposition it emits toxic fumes of Cl− and NOx. The storage environment of Chlorendic imide (CAS NO.6889-41-4) should be ventilate, low-temperature and dry.