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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:
465-73-6
Molecular Weight:
364.91
Beilstein:
2509251
EC Number:
207-366-2
MDL number:
MFCD00135588
UNSPSC Code:
12352100
PubChem Substance ID:
24856255
NACRES:
NA.22

form

solid

Quality Level

100

mp

239-241 °C (lit.)

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
GHS06,GHS09

Signal Word

Danger

Hazard Statements

H300 + H310 + H330,H410

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

Certificates of Analysis (COA)

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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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