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(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER structure

CAS No:
396131-82-1
Formula:
C14H18BNO2
Chemical Name:
(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
Synonyms:
(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER;3-(CYANOMETHYL)BENZENEBORONIC ACID PINACOL ESTER;2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile;[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile;[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile(SALTDATA: FREE);3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-Benzeneacetonitrile

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(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER Basic Attributes

Molecular Weight：

243.11

Exact Mass：

243.14300

DSSTox ID：

DTXSID40378391

HScode：

2931900090

Characteristics

PSA：

42.25000

XLogP3：

2.05188

Density：

1.05g/cm3

Melting Point：

44-48°C

Boiling Point：

379.5ºC at 760mmHg

Flash Point：

183.3ºC

Refractive Index：

1.505

Water Solubility：

Slightly soluble in water.

Safety Information

Transport codes：

3439

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:243.11
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:243.1430590
Monoisotopic Mass:243.1430590
Topological Polar Surface Area:42.2
Heavy Atom Count:18
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

(3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

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