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850568-67-1

850568-67-1 Structure

850568-67-1 Structure
IdentificationBack Directory
[Name]

2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE
[CAS]

850568-67-1
[Synonyms]

(4-boronophenyl)dimethylacetonitrile
4-(2-Cyano-2-propyl)benzeneboronic acid
4-(2-CYANOPROPAN-2-YL)PHENYLBORONIC ACID
2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE
4-(2-CYANOPROPAN-2-YL)BENZENEBORONIC ACID
4-(2-Cyanoprop-2-yl)benzeneboronicacid98%
4-(2-Cyanoprop-2-yl)benzeneboronic acid 98%
4-(2-Cyano-2-propyl)benzeneboronic acid, 97%,
4-(2-Cyanopropan-2-yl)benzeneboronic acid 98%
[4-(1-cyano-1-methylethyl)phenyl]boronic acid
boronic acid, [4-(1-cyano-1-methylethyl)phenyl]-
Boronic acid,B-[4-(1-cyano-1-methylethyl)phenyl]-
Boronic acid,?B-[4-(1-cyano-1-methylethyl)phenyl]- (ACI)
[4-(1-cyano-1-methylethyl)phenyl]boronic acid(SALTDATA: FREE)
2-(4-Boronophenyl)-2-methylpropanenitrile, 2-(4-Boronophenyl)-2-methylpropionitrile
[Molecular Formula]

C10H12BNO2
[MDL Number]

MFCD06659832
[MOL File]

850568-67-1.mol
[Molecular Weight]

189.02
Chemical PropertiesBack Directory
[Melting point ]

146-148
[Boiling point ]

370.0±44.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

8.34±0.16(Predicted)
[Appearance]

White to off-white Solid
[Water Solubility ]

Soluble in water. [9 g/100 mL (20°C)]
[InChI]

1S/C10H12BNO2/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,1-2H3
[InChIKey]

BNXBFDTWYHAEIR-UHFFFAOYSA-N
[SMILES]

CC(C)(C#N)c1ccc(cc1)B(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Warning
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2931900090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

Benzene boronic acid mediated the ortho specific hydroxyalkylation of phenols by aldehydes. The ability of boronic acids to reversibly bind diol functional groups has been utilized for fluorescent detection of saccharides. It can be a effective catalyst for amidation and esterification of carboxylic acids.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE(850568-67-1)1HNMR
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