5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

HCID 57589940

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Basic information

CAS: 957344-92-2
Standard SMILES: CC1(C)OB(c2ccc(C(N)=O)s2)OC1(C)C
InChIKey: SQHNPVGOAXWLAM-UHFFFAOYSA-N
Molecular formula: C11H16BNO3S
Average molar mass: 253.13 g/mol
Monoisotopic mass: 253.0943947

Names & identifiers

Preferred name: 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
English name: 5-CarbaMoylthiophene-2-boronic acid pinacol ester, 96%
Molecular formula: C11H16BNO3S
Molecular weight: 253.13

Names & synonyms

957344-92-25-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamideRefChem:531688849-646-25-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide5-Carbamoylthiophene-2-boronic acid pinacol esterMFCD172152145-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxylic acid amideSCHEMBL1475922SQHNPVGOAXWLAM-UHFFFAOYSA-NHS-4279NCGC00662929-01

Show more names

2-Thiophenecarboxamide, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

SY205016DB-196007CS-0289458EN300-255098G71845F7028555-CarbaMoylthiophene-2-boronic acid pinacol ester, 96%5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxamide

Database identifiers

CAS: 957344-92-2
PubChem CID: 57589940
EC Number: 849-646-2

Properties

Computed structural properties

Topological polar surface area: 89.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 319

Physicochemical properties

Boiling point: 391.8 · 391.8±27.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
pka: 15.7 · 15.70±0.50(Predicted)
CAS DataBase Reference: 957344 · 957344-92-2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362