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Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate

HCID 53399676
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Basic information

CAS
960116-27-2
Standard SMILES
CCOC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1
InChIKey
UKOWLIGHMFVYFW-UHFFFAOYSA-N
Molecular formula
C13H19BO4S
Average molar mass
282.2 g/mol
Monoisotopic mass
282.1097104

Names & identifiers

Preferred name
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
IUPAC
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
English name
ethyl 5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
Molecular formula
C13H19BO4S
Molecular weight
282.16

Names & synonyms

960116-27-2Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylateMFCD124072595-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-3-carboxylic acid ethyl ester4-(Ethoxycarbonyl)thiophene-2-boronic Acid Pinacol EsterEthyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylateSCHEMBL1893069DTXSID30694658(4-(Ethoxycarbonyl)thiophen-2-yl)boronic acid pinacol esterAKOS016006965AS-55559SY123833
Show more names
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate - [E57188]3-Thiophenecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester5-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Thiophene-3-Carboxylic Acid Ethyl Ester(WX656010)
DB-343015CS-0036576F232011Ethyl thiophene-2-boronic acid pinacol ester-4-carboxylateEthyl thiophene-3-carboxylate-5-boronic acid pinacol ester(4-(Ethoxycarbonyl)thiophen-2-yl)boronic acid pinacol ester, 95%Ethyl 5-(4455-tetramethyl-132-dioxaborolan-2-yl)thiophene-3-carboxylateethyl 5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate

Database identifiers

CAS
960116-27-2
PubChem CID
53399676
DTXSID
DTXSID30694658

Properties

Computed structural propertiesFilling in

Topological polar surface area
73 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
343

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-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
P261-P305+P351+P338

Related reactions

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