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

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

CAS No:
548797-51-9
Formula:
C13H15BClNO2
Chemical Name:
2-Chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Synonyms:
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;ACMC-209ljw;SCHEMBL748654;CTK8B1880;DTXSID70728300;ANW-32202;ZB1842;AKOS016010857;ZINC169978568;MB20307
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Basic Attributes

Molecular Weight：

263.5277

Exact Mass：

263.088440

DSSTox ID：

DTXSID70728300

HScode：

2934999090

Characteristics

PSA：

42.2

XLogP3：

2.51088

Density：

1.2±0.1 g/cm3

Boiling Point：

384.9±32.0 °C at 760 mmHg

Flash Point：

186.6±25.1 °C

Refractive Index：

1.522

Safety Information

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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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Guide of 2-Chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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

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