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CAS Number: 98546-51-1
(4-(methylthio)phenyl)boronic acid

Structure

(4-(methylthio)phenyl)boronic acid
Name: (4-(methylthio)phenyl)boronic acid
Synonyms:
General Information
Product Number: 98546511

CAS Registry Number 98546-51-1
Name:
Boronic acid, B-​[4-​(methylthio)​phenyl]​-
Benzeneboronic acid, p-(methylthio)- (6CI)
Boronic acid, [4-(methylthio)phenyl]- (9CI)
4-(Methylsulfanyl)benzeneboronic acid
4-(Methylsulfanyl)phenylboronic acid
4-(Methylthio)benzeneboronic acid

 

Chemical Formula: C7H9BO2S
Exact Mass: 168.04
Molecular Weight: 168.02
m/z: 168.04 (100.0%), 167.05 (24.8%), 169.04 (9.5%), 170.04 (4.7%), 168.05 (1.9%)

 

InChI:InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3

InChI Key:IVUHTLFKBDDICS-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 211-213 °C   (2)CAS
Melting Point 209-209.5 °C   (3)CAS
Melting Point 205-207 °C   (4)CAS

Specification

98%

References
  1. (2) Percec, Virgil; Journal of Organic Chemistry 2001, V66(6), P2104-2117 CAPLUS
  2. (3) Santucci, Ludovico; Journal of the American Chemical Society 1958, V80, P193-6 CAPLUS
  3. (4) Bartucci, Matthew A.; Tetrahedron Letters 2010, V51(52), P6839-6842 CAPLUS
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