ChemicalBook--->CAS DataBase List--->5469-26-1

5469-26-1

5469-26-1 Structure

5469-26-1 Structure
IdentificationMore
[Name]

1-Bromopinacolone
[CAS]

5469-26-1
[Synonyms]

1-BROMO-3,3-DIMETHYL-2-BUTANONE
1-BROMO-3,3-DIMETHYLBUTAN-2-ONE
1-BROMOPINACOLIN
1-BROMOPINACOLONE
AKOS BBS-00003851
BROMOMETHYL TERT-BUTYL KETONE
TIMTEC-BB SBB006551
1-bromo-3,3-dimethyl-2-butanon
3,3-Dimethyl-2-oxobutyl bromide
alpha-Bromopinacolone
Bromopinacolin
Bromopinacolone
omega-Brompinakolin
omega-brompinakolin
Pivaloylmethyl bromide
pivaloylmethylbromide
tert-Butyl Bromomethyl ketone
1-BROMOPINACOLONE, 97+%
1-BROMOPINACOLONE, TECH., CA. 90%
2-Butanone, 1-bromo-3,3-dimethyl-
[EINECS(EC#)]

226-794-0
[Molecular Formula]

C6H11BrO
[MDL Number]

MFCD00000206
[Molecular Weight]

179.05
[MOL File]

5469-26-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear pale yellow to yellow-brownish liquid
[Melting point ]

-10 °C (lit.)
[Boiling point ]

188-194 °C (lit.)
[density ]

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

n20/D 1.466(lit.)
[Fp ]

195 °F
[storage temp. ]

−20°C
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[color ]

Clear pale yellow to yellow-brownish
[Water Solubility ]

Insoluble in water.
[BRN ]

506485
[InChI]

InChI=1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
[InChIKey]

SAIRZMWXVJEBMO-UHFFFAOYSA-N
[SMILES]

C(Br)C(=O)C(C)(C)C
[CAS DataBase Reference]

5469-26-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butanone, 1-bromo-3,3-dimethyl-(5469-26-1)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,F
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

1224
[WGK Germany ]

3
[RTECS ]

EL7010000
[F ]

8-10-21
[Hazard Note ]

Irritant/Flammable
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29147000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Diethyl ether-->Dichloromethane-->Pinacolone-->Tetrabutylammonium tribromide
[Preparation Products]

3,3-Dibromo-2,2-dimethylbutane-->1-(4-chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one-->Pivaloylacetonitrile-->1,1-Dibromopinacolone-->4-t-Butyl-2-(MethylaMino)thiazole-->2-Butanone, 3,3-dimethyl-1-(methylamino)--->Methyl 2-tert-butylimidazo-[1,2-a]pyridine-6-carboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Bromomethyl tert-butyl ketone(5469-26-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear pale yellow to yellow-brownish liquid
[Uses]

1-Bromopinacolone is used as an iIntermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.
[General Description]

1-Bromopinacolone is an α-bromoketone-aldehyde. Coupling of 1-bromopinacolone with various aldehyde electrophiles catalyzed by SmI2 has been reported. It acts as reversible competitive inhibitor for acetylcholinesterase, during hydrolysis of acetylcholine.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromopinacolone(5469-26-1)MS
1-Bromopinacolone(5469-26-1)1HNMR
1-Bromopinacolone(5469-26-1)IR1
1-Bromopinacolone(5469-26-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromopinacolone, 93%(5469-26-1)
[Alfa Aesar]

1-Bromopinacolone, 97+%(5469-26-1)
[Sigma Aldrich]

5469-26-1(sigmaaldrich)
[TCI AMERICA]

1-Bromo-3,3-dimethyl-2-butanone,>95.0%(GC)(5469-26-1)
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