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Merck
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Key Documents

267988

Sigma-Aldrich

Isodrine

Synonym(s):

1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo,endo-1,4:5,8-dimethanonaphthalene

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About This Item

Empirical Formula (Hill Notation):
C12H8Cl6
CAS Number:
Molecular Weight:
364.91
Beilstein:
2509251
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

form

solid

mp

239-241 °C (lit.)

functional group

chloro

SMILES string

[H][C@@]12C3CC(C=C3)[C@]1([H])[C@]4(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C4(Cl)Cl

InChI

1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7+,10-,11+

InChI key

QBYJBZPUGVGKQQ-DIFDVCDBSA-N

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General description

Isodrine has rigid molecules with two double bonds facing each other closely that represents the simplest laticyclic conjugated system. The through space interaction in isodrine was studied.

Pictograms

Skull and crossbonesEnvironment

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Laticyclic conjugated double bonds within the framework of oligocondensed bicyclo [2.2. 2] octenes.
Grimme W, et al.
J. Chem. Soc. Perkin Trans. II, 9, 1893-1900 (1998)

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