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Product No: CL7499

Butane-1-boronic acid, pinacol ester, 98%

Name: Butane-1-boronic acid, pinacol ester
Brand: Chempure

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CAS Number

69190-62-1

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About this item

IUPAC name	2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
canonical smiles	B1(OC(C(O1)(C)C)(C)C)CCCC
inchi	InChI=1S/C10H21BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-8H2,1-5H3
inchi key	ZHBANXSNVFDSMK-UHFFFAOYSA-N
molecular formula	C10H21BO2
synonyms	2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 69190-62-1 n-butylboronic acid, pinacol ester n-Butylboronic acid pinacol ester Butane-1-boronic acid pinacol ester

Computed Properties

Molecular Weight:	184.09 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	184.1634601 g/mol
Monoisotopic Mass:	184.1634601 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	162
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,3-Dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane

2-Cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane

Tert-butylboronic acid pinacol ester

2-Hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(1-methylcyclopropyl)-1,3,2-dioxaborolane

2-Isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Fluorobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2R)-butan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
canonical smiles	B1(OC(C(O1)(C)C)(C)C)CCCC
inchi	InChI=1S/C10H21BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-8H2,1-5H3
inchi key	ZHBANXSNVFDSMK-UHFFFAOYSA-N
molecular formula	C10H21BO2
synonyms	2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 69190-62-1 n-butylboronic acid, pinacol ester n-Butylboronic acid pinacol ester Butane-1-boronic acid pinacol ester

Computed Properties

Molecular Weight:	184.09 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	184.1634601 g/mol
Monoisotopic Mass:	184.1634601 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	162
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,3-Dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane

2-Cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane

2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane

Tert-butylboronic acid pinacol ester

2-Hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(1-methylcyclopropyl)-1,3,2-dioxaborolane

2-Isobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Fluorobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2R)-butan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CL7499

Butane-1-boronic acid, pinacol ester, 98%

Product No: CL7499

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CL7499

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?