ChemicalBook--->CAS DataBase List--->25015-63-8

25015-63-8

25015-63-8 Structure

25015-63-8 Structure
IdentificationMore
[Name]

Pinacolborane
[CAS]

25015-63-8
[Synonyms]

4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
PINACOLBORANE
Pinacolboronane
4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 1M SOLUTION IN TETRAHYDROFURAN
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-
4,4,5,5-tetramethyl-1,3,2-dioxaborolane solution
Pinacolborane (PINB)
4,4,5,5-TETRAMETHYL-1,3,2-DIOXA-&
4,4,5,5-Tetramethyl-1,3-dioxa-2$l^{2}-boracyclopentane
4,4,5,5-Tetramethyl-1,3,2-dioxaborole
4,4,5,5-Tetramethyl-1,3-dioxa-2-boracyclopentane
[EINECS(EC#)]

607-485-3
[Molecular Formula]

C6H17BO2
[MDL Number]

MFCD00674030
[Molecular Weight]

132.01
[MOL File]

25015-63-8.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Boiling point ]

42-43 °C50 mm Hg(lit.)
[density ]

0.882 g/mL at 25 °C(lit.)
[vapor pressure ]

29-119.9hPa at 20-50℃
[refractive index ]

n20/D 1.396(lit.)
[Fp ]

41 °F
[storage temp. ]

Keep Cold
[solubility ]

Miscible with ether, dichloromethane, tetrahydrofuran and organic solvents.
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Specific Gravity]

0.882
[Sensitive ]

Air Sensitive
[BRN ]

7802871
[Stability:]

Air Sensitive, Hygroscopic, Moisture Sensitive
[InChI]

InChI=1S/C6H13BO2/c1-5(2)6(3,4)9-7-8-5/h7H,1-4H3
[InChIKey]

UCFSYHMCKWNKAH-UHFFFAOYSA-N
[SMILES]

O1C(C)(C)C(C)(C)OB1
[CAS DataBase Reference]

25015-63-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H225-H261
[Precautionary statements ]

P210-P231+P232-P233-P280-P302+P335+P334-P370+P378
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R15:Contact with water liberates extremely flammable gases.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36/37:Irritating to eyes and respiratory system .
R19:May form explosive peroxides.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) .
S8:Keep container dry .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S33:Take precautionary measures against static discharges .
S29:Do not empty into drains .
[RIDADR ]

UN 3398 4.3/PG 2
[WGK Germany ]

3
[Hazard Note ]

Highly Flammable/Keep Cold/Air Sensitive
[REACH Registrations]

Active
[HazardClass ]

4.3
[PackingGroup ]

II
[HS Code ]

29209090
[Storage Class]

4.3 - Hazardous materials which set free flammable gases upon contact with water
[Hazard Classifications]

Flam. Liq. 2
Water-react 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->Pinacol-->Borane-methyl sulfide complex
[Preparation Products]

3-Morpholinophenylboronic acid pinacol ester-->2-Ethoxycarbonylphenylboronic acid pinacol ester-->4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline-->4-Hydroxyphenylboronic acid pinacol ester-->BISPINACOLATOBIBORATE-->1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(4-methylphenyl)methoxy]--->1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethoxy)--->4-Nitrophenylboronic acid pinacol ester-->1-Boc-pyrazole-4-boronic acid pinacol ester-->2-Amino-5-fluorophenyl boronic acid pinacol ester-->2-Amino-5-fluorobenzeneboronic acid-->3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-->(S)-methyl 2-(tert-butoxycarbonylamino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate-->2-(2-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-->2-(3,4-Dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-->4-(N-Methylamino)phenylboronic acid, pinacol ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Pinacolborane(25015-63-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Uses]

Pinacolborane is used for synthesis of unsymmetrical biaryls via aromatic C-H borylation-cross-coupling sequence.
[Synthesis]

Pinacol (177 g, 1.5 mol) and CH2Cl2 (1.6 L) were added to a 5 L round bottom flask. Borane dimethyl sulfide (10 M, 159 mL, 0.16 mol) was added to the flask via cannula and the mixture was stirred at 0°C for 4 hours. The reaction mixture was then heated to
Spectrum DetailBack Directory
[Spectrum Detail]

Pinacolborane(25015-63-8)1HNMR
Pinacolborane(25015-63-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pinacolborane, 97%(25015-63-8)
[Alfa Aesar]

Pinacolborane, 97%(25015-63-8)
[Sigma Aldrich]

25015-63-8(sigmaaldrich)
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