3-Chloro-4-methyl-2-(methylthio)phenylboronic acid pinacol ester
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Basic information
- CAS
2121512-63-6- Standard SMILES
CSc1c(B2OC(C)(C)C(C)(C)O2)ccc(C)c1Cl- InChIKey
MOGJTGLLKFNTDJ-UHFFFAOYSA-N- Molecular formula
- C14H20BClO2S
- Average molar mass
- 298.6 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-methyl-2-(methylthio)phenylboronic acid pinacol ester
- IUPAC
- 2-(3-chloro-4-methyl-2-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 3-Chloro-4-methyl-2-(methylthio)phenylboronic acid pinacol ester
- Molecular formula
- C14H20BClO2S
- Molecular weight
- 298.64
Names & synonyms
2121512-63-63-Chloro-4-methyl-2-(methylthio)phenylboronic acid pinacol esterMFCD305298212-(3-chloro-4-methyl-2-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneC14H20BClO2SE945502-(3-chloro-4-methyl-2-methylsulfanyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(3-chloro-4-methyl-2-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 2-[3-chloro-4-methyl-2-(methylthio)phenyl]-4,4,5,5-tetramethyl-
Database identifiers
- CAS
2121512-63-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 369.7 · 369.7±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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