ChemicalBook--->CAS DataBase List--->628-41-1

628-41-1

628-41-1 Structure

628-41-1 Structure
IdentificationMore
[Name]

Cyclohexa-1,4-diene
[CAS]

628-41-1
[Synonyms]

1,4-CYCLOHEXADIENE
1,4-DIHYDROBENZENE
Cyclohexa-1,4-diene
1,4-CYCLOHEXADIENE, STAB.
1,4-CYCLOHEXADIENE, STANDARD FOR GC, STA B.
1,4-Cyclohexadiene,97%stab.with0.1%hydroquinone
1,4-Cyclohexadiene, stabilized, 97%
1,4-Cyclohexanediene
1,4-Cyclohexadiene, 97% stab. with 0.1% BHT
1,4-Cyclohexadiene, 97%, stabilized
1,4-Cyclohexadiene (stabilized with BHT)
[EINECS(EC#)]

211-043-1
[Molecular Formula]

C6H8
[MDL Number]

MFCD00001535
[Molecular Weight]

80.13
[MOL File]

628-41-1.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-49.2 °C
[Boiling point ]

88-89 °C (lit.)
[density ]

0.847 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.472(lit.)
[Fp ]

20 °F
[storage temp. ]

0-6°C
[form ]

Liquid
[color ]

Clear colorless
[Stability:]

Stable. Highly flammable. Incompatible with strong oxidizing agents.
[Water Solubility ]

Miscible with organic solvents like diethyl ether, tetrahydrofuran and toluene.Immiscible with water.
[BRN ]

1900733
[Dielectric constant]

2.2599999999999998
[Exposure limits]

ACGIH: TWA 2 mg/m3
NIOSH: TWA 10 mg/m3
[InChIKey]

UVJHQYIOXKWHFD-UHFFFAOYSA-N
[LogP]

2.300
[CAS DataBase Reference]

628-41-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1,4-Cyclohexadiene(628-41-1)
[EPA Substance Registry System]

628-41-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

R11:Highly Flammable.
R48/20/21/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation, and in contact with skin and if swallowed .
R45:May cause cancer.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[F ]

23
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29021990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Methanol-->Sodium-->Magnesium sulfate-->Benzene-->Nitrogen-->Xylene-->1,4-Dichlorobutane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cyclohexa-1,4-diene(628-41-1).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

Forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.1
[Uses]

Reagent for selectively cleaving benzyl esters in the presence of benzyl ethers by catalytic H-transfer.
[Definition]

ChEBI: Cyclohexa-1,4-diene is a cyclohexadiene.
[General Description]

1,4-Cyclohexadiene is an effective hydrogen donor for catalytic hydrogenation reactions. It can rapidly replace benzyl groups of N-benzyloxycarbamates, benzyl esters, benzyl ethers and benzyl amines with hydrogen. It forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.
[Purification Methods]

Dry the diene over CaCl2 and distil it in a vacuum under N2. [Hückel & W.rffel Chem Ber 88 338 1955, Giovannini & Wegmüller Helv Chim Acta 42 1142 1959.] [Beilstein 5 IV 385.]
Spectrum DetailBack Directory
[Spectrum Detail]

Cyclohexa-1,4-diene(628-41-1)MS
Cyclohexa-1,4-diene(628-41-1)1HNMR
Cyclohexa-1,4-diene(628-41-1)13CNMR
Cyclohexa-1,4-diene(628-41-1)IR1
Cyclohexa-1,4-diene(628-41-1)Raman
Cyclohexa-1,4-diene(628-41-1)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Cyclohexadiene, stabilized, 97%(628-41-1)
[Alfa Aesar]

1,4-Cyclohexadiene, 97% stab. with 0.1% BHT(628-41-1)
[Sigma Aldrich]

628-41-1(sigmaaldrich)
[TCI AMERICA]

1,4-Cyclohexadiene  (stabilized with BHT),>98.0%(GC)(628-41-1)
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