4,5-Difluoro-2-methoxyphenylboronic Acid - CAS 870777-32-5

Catalog:	BB038242
Product Name:	4,5-Difluoro-2-methoxyphenylboronic Acid
CAS:	870777-32-5
Synonyms:	(4,5-difluoro-2-methoxyphenyl)boronic acid; (4,5-difluoro-2-methoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4,5-difluoro-2-methoxyphenyl)boronic acid
Description:	Contains varying amounts of anhydride.
Molecular Weight:	187.94
Molecular Formula:	C7H7F2O3B
Canonical SMILES:	B(C1=CC(=C(C=C1OC)F)F)(O)O
InChI:	InChI=1S/C7H7BF2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3,11-12H,1H3
InChI Key:	ISQCHQGYKNHYGP-UHFFFAOYSA-N
Boiling Point:	313.9 °C at 760 mmHg
Melting Point:	175-180 °C (lit.)
Density:	1.35 g/cm³
MDL:	MFCD08275291
LogP:	-0.34680

Publication Number	Title	Priority Date
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
US-2020163953-A1	Compounds for Inhibition of Alpha 4 Beta 7 Integrin	20181030
WO-2020092401-A1	COMPOUNDS FOR INHIBITION OF ALPHA 4Î²7 INTEGRIN	20181030
CN-112969504-A	Compounds for inhibiting alpha 4 beta 7 integrins	20181030
EP-3873605-A1	Compounds for inhibition of alpha4beta7 integrin	20181030

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
[1799644-51-1]
B-spiro[9H-fluorene-9,9'-[9H]xanthen]-2-ylboronic acid
[2244281-69-2]
B-spiro[9H-Fluorene-9,9'-[9H]xanthen]-4-ylboronic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0456306
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.0456306
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0