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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2760588Generated: October 23, 2026

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

4-Carbamoylphenylboronic Acid Pinacol Ester · 4-Carbamoylbenzeneboronic acid pinacol ester · 4-AMINOCARBONYLPHENYLBORONIC ACID, PINACOL ESTER · 4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide · 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZAMIDE · Benzamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

https://huagongshe.com/en/chemical/2760588

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide molecular structure

Identifiers & Physical Properties

CAS No.179117-44-3
Molecular formulaC13H18BNO3
Average molar mass247.1 g/mol
Monoisotopic mass247.1379736 g/mol
SMILESCC1(C)OB(c2ccc(C(N)=O)cc2)OC1(C)C
InChIKeyNWEMAGLLVQDEKL-UHFFFAOYSA-N
PubChem CID2760588
EC No.675-000-2
DTXSIDDTXSID20375242

Chemical & Physical Properties

Topological polar surface area61.6
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds2
Heavy atoms18
Formal charge0
Complexity319
Melting point174.9-180.3 °C
Boiling point388.2±25.0 °C(Predicted)
Density1.11±0.1 g/cm3(Predicted)
Storage conditionsunder inert gas (nitrogen or Argon) at 2-8°C
Physical statesolid
pKa (acidity coefficient)15.86±0.50(Predicted)
ColorWhite
InChI1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChIKeyNWEMAGLLVQDEKL-UHFFFAOYSA-N
SMILESB2(OC(C(O2)(C)C)(C)C)c1ccc(cc1)C(=O)N
CAS DataBase Reference179117-44-3(CAS DataBase Reference)
UNSPSC Code12352200
NACRESNA.21
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302
GHS precautionary statementsP301+P312+P330
Hazard symbolsXn
Risk statements (R)22
Water hazard class (WGK)3
Customs code2931900090
Storage class11 - Combustible Solids
Hazard classAcute Tox. 4 Oral

Safety & Regulations

GHS classificationWarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Water hazard class (WGK)3
Customs code2931900090
Risk statements (R)22
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXn
Storage class11 - Combustible Solids
GHS hazard statementsH302
Hazard classAcute Tox. 4 Oral
GHS precautionary statementsP301+P312+P330