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2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile structure

CAS No:
214360-47-1
Formula:
C12H14BNO2
Chemical Name:
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
Synonyms:
Benzonitrile,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-;2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile;2-(2-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;(2-Cyanophenyl)boronic acid 2,2-dimethylpropane-1,3-diol cyclic ester;2,2-Dimethyltrimethylene (2-cyanophenyl)boronate

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2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile Basic Attributes

Molecular Weight：

215.05600

Exact Mass：

215.06

HScode：

2934999090

Characteristics

PSA：

42.25000

XLogP3：

1.32648

Density：

1.08g/cm3

Boiling Point：

368.1ºC at 760mmHg

Flash Point：

176.4ºC

Refractive Index：

1.511

Vapor Pressure：

1.3E-05mmHg at 25°C

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:215.06
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:215.1117589
Monoisotopic Mass:215.1117589
Topological Polar Surface Area:42.2
Heavy Atom Count:16
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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