ChemicalBook--->CAS DataBase List--->5307-99-3

5307-99-3

5307-99-3 Structure

5307-99-3 Structure
IdentificationMore
[Name]

7,7-DICHLOROBICYCLO[3.2.0]HEPT-2-EN-6-ONE
[CAS]

5307-99-3
[Synonyms]

7,7-DICHLOROBICYCLO[3.2.0]HEPT-2-EN-6-ONE
7,7-DICHLOROBICYCLO[3.2.0]HEPT-2-ENE-6-ONE
7,7-DICHLOROBICYCLO[3.2.0]HEPT-2-ENONE
Bicyclo[3.2.0]hept-2-en-6-one, 7,7-dichloro-
Dichlorobicycloheptenone
7,7-Dichlorobicyclo3.2.0ühept-2-en-6-one, 97%
7,7-DICHLOROBICYCLO(3.2.0)HEPT-2-EN-6-ONE,98%
[EINECS(EC#)]

226-165-0
[Molecular Formula]

C7H6Cl2O
[MDL Number]

MFCD00013738
[Molecular Weight]

177.03
[MOL File]

5307-99-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear brown liquid
[Boiling point ]

58-64 °C (0.5 mmHg)
[density ]

1.44±0.1 g/cm3(Predicted)
[refractive index ]

1.5150
[Fp ]

127-128°C/25mm
[storage temp. ]

Refrigerator (+4°C)
[form ]

liquid
[color ]

Clear, dark orange
[BRN ]

2045059
[InChI]

InChI=1S/C7H6Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-5H,2H2
[InChIKey]

JBPBARAOHIDZPU-UHFFFAOYSA-N
[SMILES]

C12C(C(=O)C1(Cl)Cl)CC=C2
[CAS DataBase Reference]

5307-99-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3265 8 / PGIII
[WGK Germany ]

2
[Hazard Note ]

Irritant
[HS Code ]

2914290090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Propenoyl chloride, 3,3-dichloro--->dichloroketene-->1,3-Cyclopentadiene-->Dichloroacetyl chloride-->Trichloroacetyl chloride
[Preparation Products]

HEPTENOPHOS
Hazard InformationBack Directory
[Chemical Properties]

clear brown liquid
[Production Methods]

Dichloracetyl chloride and cyclopentadiene in pentane heated to reflux, was added dropwise triethylamine in pentane , and a lot of white triethylamine hydrochloride was produced. After reflux for 2 hours, water was added to dissolve the triethylamine hydrochloride. The reaction mixture was extracted with pentane. The combined extracts were filtered and dried over anhydrous Na2SO4, and concentrated in vacuo to give brownish black oil. Fraction of reduced pressure distillation  was collected to give product as a colorless oil.
[Synthesis]

Dichloracetyl chloride and cyclopentadiene in pentane heated to reflux, was added dropwise triethylamine in pentane , and a lot of white triethylamine hydrochloride was produced. After reflux for 2 hours, water was added to dissolve the triethylamine hydrochloride. The reaction mixture was extracted with pentane. The combined extracts were filtered and dried over anhydrous Na2SO4, and concentrated in vacuo to give brownish black oil. Fraction of reduced pressure distillation  was collected to give product as a colorless oil.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-one, 97%(5307-99-3)
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