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3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile structure

CAS No:
1212021-11-8
Formula:
C13H15BClNO2
Chemical Name:
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Synonyms:
3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE;3-Chloro-5-cyanophenylboronic acid pinacol ester;3-CHLORO-5-CYANOPHENYLBORONIC ACID, PINACOL ESTER;SCHEMBL28779;CTK8B6296;DTXSID70682231;ANW-53242;RW3630;AKOS015999637;ZINC169746591

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3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Basic Attributes

Molecular Weight：

263.5277

Exact Mass：

263.08800

DSSTox ID：

DTXSID70682231

Characteristics

PSA：

42.2

XLogP3：

2.51088

Density：

1.16±0.1 g/cm3(Predicted)

Boiling Point：

361.1±32.0 °C(Predicted)

Storage Conditions：

Refrigerated.

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:263.53
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:263.0884366
Monoisotopic Mass:263.0884366
Topological Polar Surface Area:42.2
Heavy Atom Count:18
Complexity:360
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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CAS No.: 1212021-11-8

Content: 98%

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Guide of 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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