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

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

CAS No:
775351-57-0
Formula:
C13H15BFNO2
Chemical Name:
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Synonyms:
Benzonitrile,2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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

Molecular Weight：

247.07

Exact Mass：

247.07

DSSTox ID：

DTXSID10464790

HScode：

2934999090

Characteristics

PSA：

42.2

XLogP3：

1.99658

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

75-76℃

Boiling Point：

334.5°C at 760 mmHg

Flash Point：

156.1±25.1 °C

Refractive Index：

1.496

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Use and Manufacturing

2-Fluoro-5-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-benzonitrile 6(pinacolato)diboron (1.9 g, 7.48 mmol), and KOAc (1.47 g, 14.98 mmol) in 1, 4- dioxane (10.0 mL) that was degassed with argon for 10 min was added PdCl2(dppf) (10 mg, 0.014 mmol). The reaction mixture was heated to 100

Computed Properties

Molecular Weight:247.07
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:247.1179870
Monoisotopic Mass:247.1179870
Topological Polar Surface Area:42.2
Heavy Atom Count:18
Complexity:360
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER

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CAS No.: 775351-57-0

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

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

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

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