Basic information
- CAS
1040281-87-5- Standard SMILES
Cc1ccc(-c2csc(B3OC(C)(C)C(C)(C)O3)c2)cc1- InChIKey
HTFRZJXCRJCGPS-UHFFFAOYSA-N- Molecular formula
- C17H21BO2S
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 300.1355312
Names & identifiers
- Preferred name
- 4-(4-Tolyl)thiophene-2-boronic acid pinacol ester
- IUPAC
- 4,4,5,5-tetramethyl-2-[4-(4-methylphenyl)thiophen-2-yl]-1,3,2-dioxaborolane
- English name
- 4-(4-Tolyl)thiophene-2-boronic acid pinacol ester
- Molecular formula
- C17H21BO2S
- Molecular weight
- 300.22
Names & synonyms
1040281-87-54-(4-Tolyl)thiophene-2-boronic acid pinacol ester4,4,5,5-Tetramethyl-2-[4-(4-methylphenyl)-2-thienyl]-1,3,2-dioxaborolaneDTXSID601148952AKOS015943806CS-310081,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(4-methylphenyl)-2-thienyl]-4,4,5,5-tetramethyl-2-[4-(4-methylphenyl)thiophen-2-yl]-1,3,2-dioxaborolane
Database identifiers
- CAS
1040281-87-5- PubChem CID
- 45786372
- DTXSID
DTXSID601148952
Properties
Computed structural properties
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 403 · 403.0±33.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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