ChemicalBook--->CAS DataBase List--->823-96-1

823-96-1

823-96-1 Structure

823-96-1 Structure
IdentificationMore
[Name]

Trimethylboroxine
[CAS]

823-96-1
[Synonyms]

METHYLBOROXIN
TRIMETHYLBOROXINE
trimethylboroxin,
trimethylboroxin,mbx,intetrahydrofuran
Trimethylboroxin, in tetrahydrofuran
Trimethylboroxine, 50 wt% solution in THF
2,4,6-Trimethyl-cyclotriboroxane
Boroxin, 2,4,6-trimethyl-
2,4,6-Trimethyl-1,3,5-trioxa-2,4,6-triboracyclohexane
2,4,6-Trimethylboroxin
Methaneboronic anhydride
Methylboric anhydride
[Molecular Formula]

C3H9B3O3
[MDL Number]

MFCD00013354
[Molecular Weight]

125.53
[MOL File]

823-96-1.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to yellow solution
[Melting point ]

−38 °C(lit.)
[Boiling point ]

78-80 °C(lit.)
[density ]

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

n20/D 1.362(lit.)
[Fp ]

16 °F
[storage temp. ]

Flammables area
[form ]

Solution
[color ]

Colorless to yellow
[Water Solubility ]

Not miscible in water.
[Sensitive ]

Moisture Sensitive & Hygroscopic
[BRN ]

1757008
[Exposure limits]

ACGIH: TWA 50 ppm; STEL 100 ppm (Skin)
OSHA: TWA 200 ppm(590 mg/m3)
NIOSH: IDLH 2000 ppm; TWA 200 ppm(590 mg/m3); STEL 250 ppm(735 mg/m3)
[InChIKey]

GBBSAMQTQCPOBF-UHFFFAOYSA-N
[CAS DataBase Reference]

823-96-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

F,C,Xi
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R19:May form explosive peroxides.
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S33:Take precautionary measures against static discharges .
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) .
S46:If swallowed, seek medical advice immediately and show this container or label .
S37/39:Wear suitable gloves and eye/face protection .
S3:Keep in a cool place .
[RIDADR ]

UN 2924 3/PG 2
[WGK Germany ]

3
[F ]

2-10-21
[TSCA ]

Yes
[HazardClass ]

3.1
[PackingGroup ]

II
[HS Code ]

29319090
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole-->2-Methylimidazole-->2-(2-Methylpropyl)pyridine-->4-CHLORO-6-METHYL-NICOTINIC ACID METHYL ESTER-->4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester-->2-N-PROPYLPYRIDINE-->2-Amino-4,6-dimethylpyrimidine-->2,5-Dimethyl-3-nitropyridine
Hazard InformationBack Directory
[Chemical Properties]

colorless to yellow solution
[Uses]

Trimethylboroxine is used as a derivatizing agent for GLC analysis. It is used in a diverse array of areas, including as a polymerization additive. It is also used in the preparation of CBS catalysts for asymmetric reductions.?
[Application]

Trimethylboroxine (TMB) is a cyclic anhydride of methyl-boronic acid. It can be been used:
As a derivatizing agent for gas chromatographic/mass spectrometric analysis.
In the preparation of methylaluminoxane (MAO) which is used in the polymerization of olefins.
As an electrolyte additive to enhance the interface stability of electrode/electrolyte.
In methylation of aryl halides by palladium-catalyzed Suzuki-Miyaura coupling reaction.
In the preparation of CBS (Corey, Bakshi and Shibata) catalysts for asymmetric reductions of ketones to alcohols.
[Purification Methods]

Possible impurity is methylboronic acid. If present, then add a few drops of conc H2SO4 and distil it immediately, then fractionate it through an efficient column. [McCusker et al. J Am Chem Soc 79 5179 1957, IR: Goubeau & Keller Z Anorg Allgem Chem 272 303 1953, Beilstein 4 IV 4378.]
Spectrum DetailBack Directory
[Spectrum Detail]

Trimethylboroxine(823-96-1)1HNMR
Trimethylboroxine(823-96-1)Raman
Trimethylboroxine(823-96-1)IR
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