ChemicalBook--->CAS DataBase List--->7065-46-5

7065-46-5

7065-46-5 Structure

7065-46-5 Structure
IdentificationMore
[Name]

3,3-Dimethylbutyryl chloride
[CAS]

7065-46-5
[Synonyms]

3,3-DIMETHYLBUTANOYL CHLORIDE
3,3-DIMETHYLBUTYRYL CHLORIDE
3,3-DIMETHYL-N-BUTYRYL CHLORIDE
AKOS BBS-00003928
TBAC
T-BUTYLACETYL CHLORIDE
TERT-BUTYLACETYL CHLORIDE
3,3-dimethyl-butanoylchlorid
Butanoyl chloride, 3,3-dimethyl-
butylacetylchloride
Chloroacetoacetamides
tert-Butylacetyl chloride, 98+%
3,3-Dimethylbutyric acid chloride
3,3-Dimethylbutanoic acid chloride
[EINECS(EC#)]

230-356-4
[Molecular Formula]

C6H11ClO
[MDL Number]

MFCD00000737
[Molecular Weight]

134.6
[MOL File]

7065-46-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to slightly yellow liquid
[Boiling point ]

127-129 °C (lit.)
[density ]

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

n20/D 1.421(lit.)
[Fp ]

70 °F
[storage temp. ]

0-6°C
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Water Solubility ]

Reacts with water.
[Sensitive ]

Moisture Sensitive
[BRN ]

1740421
[InChI]

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

BUTKIHRNYUEGKB-UHFFFAOYSA-N
[SMILES]

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

7065-46-5(CAS DataBase Reference)
[NIST Chemistry Reference]

tert-Butyl acetyl chloride(7065-46-5)
[EPA Substance Registry System]

7065-46-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

H225-H315-H318
[Precautionary statements ]

P210-P280-P305+P351+P338
[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 ]

UN 2924 3/PG 2
[WGK Germany ]

3
[F ]

9-13-21
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29159000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Dam. 1
Flam. Liq. 2
Skin Irrit. 2
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,3-Dimethylbutanoyl chloride(7065-46-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to slightly yellow liquid
[Uses]

3,3-Dimethylbutyryl Chloride is a useful compound in organic synthesis.
[Application]

3,3-Dimethylbutyryl chloride is a very important acylation reagent, mainly used as a pharmaceutical intermediate.
[Synthesis]

Add 3,3-dimethylbutyric acid into the reactor, stir, add phosphorus trichloride, raise the temperature to the reaction temperature for reaction, cool to room temperature after the reaction, and stand for stratification; separate after standing for stratification The phosphorous acid in the lower layer is used as a by-product, and the crude acid chloride in the upper layer is collected under reduced pressure distillation at an absolute pressure of 20KPa to collect a fraction at 79-81°C to obtain 3,3-dimethylbutyryl chloride product.
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethylbutyryl chloride(7065-46-5)1HNMR
3,3-Dimethylbutyryl chloride(7065-46-5)IR1
3,3-Dimethylbutyryl chloride(7065-46-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-Butylacetyl chloride, 99%(7065-46-5)
[Alfa Aesar]

tert-Butylacetyl chloride, 98+%(7065-46-5)
[Sigma Aldrich]

7065-46-5(sigmaaldrich)
[TCI AMERICA]

tert-Butylacetyl Chloride,>97.0%(T)(7065-46-5)
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