Isopentylboronic acid - ≥95% , CAS No.98139-72-1

CAS: 98139-72-1 Cat. No.: I290780 Molecular Weight: 115.97 EC Number: 187-493-7
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
3-METHYLBUTYLBORONIC ACID | SCHEMBL2405684 | 3-Methyl-1-butylboronic acid | AS-18761 | Isopentylboronic acid | AKOS010056436 | UVMWVBMFEDQYRW-UHFFFAOYSA-N | EN300-1252973 | SY024043 | (3-METHYLBUTYL)BORONIC ACID | Isopentylboronicacid | AM90168 | MFCD0778
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
200mg
I290780-200mg
1
$12.90
1g
I290780-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$28.90
5g
I290780-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$72.90
10g
I290780-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$144.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-METHYLBUTYLBORONIC ACID | SCHEMBL2405684 | 3-Methyl-1-butylboronic acid | AS-18761 | Isopentylboronic acid | AKOS010056436 | UVMWVBMFEDQYRW-UHFFFAOYSA-N | EN300-1252973 | SY024043 | (3-METHYLBUTYL)BORONIC ACID | Isopentylboronicacid | AM90168 | MFCD0778
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesB(CCC(C)C)(O)O
IUPAC Name3-methylbutylboronic acid
InChIKeyUVMWVBMFEDQYRW-UHFFFAOYSA-N
INCHI1S/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3
Isomeric SMILES B(CCC(C)C)(O)O
Molecular Weight 115.97
Reaxy-Rn 1734595
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734595&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassBoronic acid derivatives
SubclassBoronic acids
Intermediate Tree Nodes Not available
Direct ParentBoronic acids
Alternative Parents Organic metalloid salts  Organic oxygen compounds  Monoalkylboranes  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Boronic acid - Organic metalloid salt - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic metalloid moeity - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
J2423475Certificate of AnalysisApr 28, 2024 I290780
Chemical and Physical Properties
Melt Point(°C)80-91° C
Molecular Weight115.970 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass116.101 Da
Monoisotopic Mass116.101 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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