(1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

Basic Information

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CAS Number

115-27-5

Molecular Formula

C9H2Cl6O3

Molecular Weight

370.83 g/mol

Basic Physical Properties

Melting Point

235.0 to 240.0 deg-C

Boiling Point

266.5-322°C at 760 mmHg

Flash Point

200.8 °C

Refractive Index

1.5550 (estimate)

SMILES

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C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H/t1?,2?,7-,8+

InChIKey

FLBJFXNAEMSXGL-SBUZQEQSSA-N

LogP

3.1477000000000004

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

498

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

NSC 22229
Chlorendic anhydride, 96%, may cont. up to 3% chlorendic acid
Tox21_200439
BRN 0092693
FT-0623600
5-Norbornene-2,3-dicarboxylic anhydride, 1,4,5,6,7,7-hexachloro-
115-27-5
1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.0,dec-8-ene-3,5-dione
4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione
AKOS008967309
Q-201193
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride
CAS-115-27-5
4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
F71249
EINECS 204-077-3
SCHEMBL108694
1,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride
DTXSID2026941
NSC22229
CHLORENDICANHYDRIDE
4,7-Methanoisobenzofuran-1,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-
Hexachloro-5-norbornene-2,3-dicarboxylic anhydride
1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid anhydride
4-17-00-06070 (Beilstein Handbook Reference)
NCGC00257993-01
1,7,8,9,10,10-Hexachloro-4-oxa-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
Chloran 542
(4-CYANO-PHENYL)-PHOSPHONICACID
4,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-
NS00007305

MDL Number

MFCD00080438

Customs Code

2932999099

FAQ

What are the physical and chemical properties of (1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 115-27-5)?

(1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is a crystalline compound with a molecular weight of approximately 305.21 g/mol. It has low solubility in water but is soluble in organic solvents like chloroform and acetone. The compound is highly reactive due to the presence of multiple chlorine atoms and the cyclic structure, making it a potent chlorinated compound in organic reactions.

How is (1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 115-27-5) typically synthesized?

(1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is synthesized through a multistep process involving the chlorination of a 4-oxatricyclo[5.2.1.0~2,6~]decane derivative. The reaction is typically catalyzed by phosphorus trichloride and proceeds with high selectivity and yield under controlled conditions.

What industries use (1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 115-27-5)?

(1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is primarily used in the pharmaceutical industry for the synthesis of certain chlorinated compounds. It is also relevant in organic synthesis due to its reactivity and is sometimes used in research and development for novel chemical applications.

What precautions should be taken when handling (1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 115-27-5)?

When handling (1R,7S)-1,7,8,9,10,10-Hexachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be handled using appropriate absorbent materials, and the area should be cleaned thoroughly. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.