5-(Methoxycarbonyl)thiophene-2-boronic Acid - CAS 876189-21-8

Catalog:	BB038554
Product Name:	5-(Methoxycarbonyl)thiophene-2-boronic Acid
CAS:	876189-21-8
Synonyms:	(5-methoxycarbonyl-2-thiophenyl)boronic acid; (5-methoxycarbonylthiophen-2-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5-methoxycarbonylthiophen-2-yl)boronic acid
Description:	5-(Methoxycarbonyl)thiophene-2-boronic Acid (CAS# 876189-21-8) is a useful research chemical.
Molecular Weight:	185.99
Molecular Formula:	C6H7O4SB
Canonical SMILES:	B(C1=CC=C(S1)C(=O)OC)(O)O
InChI:	InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3
InChI Key:	VJWFTDBWRPSNFS-UHFFFAOYSA-N
Boiling Point:	386.725 °C at 760 mmHg
Density:	1.397 g/cm³
Appearance:	Solid
MDL:	MFCD08443761
LogP:	-0.78550

Publication Number	Title	Priority Date
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
US-10510555-B2	Mechanism for manufacturing semiconductor device	20170929
US-2019103283-A1	Mechanism for manufacturing semiconductor device	20170929
US-2020118833-A1	Mechanism for manufacturing semiconductor device	20170929
US-11004691-B2	Mechanism for manufacturing semiconductor device	20170929

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0158100
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0158100
Rotatable Bond Count:	3
Topological Polar Surface Area:	95 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0