ChemicalBook--->CAS DataBase List--->5856-77-9

5856-77-9

5856-77-9 Structure

5856-77-9 Structure
IdentificationMore
[Name]

2,2-Dimethylbutyryl chloride
[CAS]

5856-77-9
[Synonyms]

2,2-dimethylbutanoyl chloride
2,2-DIMETHYLBUTYRYL CHLORIDE
2,2-Dimethylbutyricacidchloride
Dimethylbutyrylchloride
2,2-dimethylbutyl chloride
[EINECS(EC#)]

227-478-5
[Molecular Formula]

C6H11ClO
[MDL Number]

MFCD03093071
[Molecular Weight]

134.6
[MOL File]

5856-77-9.mol
Chemical PropertiesBack Directory
[Melting point ]

-20 °C
[Boiling point ]

133°C
[density ]

0,98 g/cm3
[refractive index ]

1.4240
[Fp ]

29°C
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

Chloroform, Ethyl Acetate
[form ]

Oil
[color ]

Clear Colorless
[Water Solubility ]

Reacts with water. Soluble in chloroform and ethyl acetate.
[Sensitive ]

Moisture Sensitive
[BRN ]

1743935
[InChI]

InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3
[InChIKey]

LDJUYMIFFNTKOI-UHFFFAOYSA-N
[SMILES]

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

5856-77-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)
GHS02,GHS05
[Signal word ]

Danger
[Hazard statements ]

H226-H290-H314-H318
[Precautionary statements ]

P210-P233-P234-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501-P260h-P303+P361+P353-P305+P351+P338-P501a
[Hazard Codes ]

C
[Risk Statements ]

R10:Flammable.
R34:Causes burns.
[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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2924
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29159000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2-Dimethylbutyryl chloride(5856-77-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

,2-Dimethylbutanoyl chloride is a reagent that is used in the synthesis of 4α,5-Dihydro Simvastatin, the drug, is sold under the trade name Zocor. A competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic.
[Application]

2,2-Dimethylbutyryl chloride has been shown to be a potent CB2 receptor agonist in vitro. It can also be used as an effective acid catalyst for various organic reactions.
[Hazard]

2,2-Dimethylbutyryl chloride is a flammable liquid, it causes severe skin burns and eye damage.
[Synthesis]

Under stirring, 25.6g of 2,2-dimethylbutyric acid and 35.8g of sulfoxide chloride were added to a three-necked flask, heated to reflux, and the hydrogen chloride and sulfur dioxide gases were absorbed with alkali. After no gas was produced, the excess sul
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-Dimethylbutyryl chloride(5856-77-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,2-Dimethylbutyryl chloride, 98%(5856-77-9)
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