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CAS Number: 89787-12-2
(2-isopropylphenyl)boronic acid

Structure

(2-isopropylphenyl)boronic acid
Name: (2-isopropylphenyl)boronic acid
Synonyms:
General Information
Product Number: 89787122

CAS Registry Number 89787-12-2
Name:
Boronic acid, B-​[2-​(1-​methylethyl)​phenyl]​-
Boronic acid, [2-(1-methylethyl)phenyl]- (9CI)
2-Isopropylbenzeneboronic acid
2-Isopropylphenylboronic acid
o-Cumylboronic acid

 

Chemical Formula: C9H13BO2
Exact Mass: 164.10
Molecular Weight: 164.01
m/z: 164.10 (100.0%), 163.10 (24.8%), 165.10 (9.7%), 164.11 (2.5%)

 

InChI:InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3

InChI Key:KTZUVUWIBZMHMC-UHFFFAOYSA-N

Canonical SMILES:B(C1=CC=CC=C1C(C)C)(O)O

 

Thermal Properties Value Condition Note
Melting Point 239 °C (decomp)   (2)CAS
Melting Point 88-89 °C   (1)CAS

Specification

98%

References
  1. (1) Zehm, Daniel; Chemistry - A European Journal 2008, V14(36), P11429-11441 CAPLUS
  2. (2) Urwyler, Stephan; Journal of Medicinal Chemistry 2009, V52(16), P5093-5107 CAPLUS
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