2,5-Dimethoxyphenylboronic Acid - CAS 107099-99-0

Catalog:	BB001979
Product Name:	2,5-Dimethoxyphenylboronic Acid
CAS:	107099-99-0
Synonyms:	(2,5-dimethoxyphenyl)boronic acid; (2,5-dimethoxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2,5-dimethoxyphenyl)boronic acid
Description:	Reactant for: Suzuki-Miyaura and Negishi couplings.
Molecular Weight:	181.98
Molecular Formula:	C8H11O4B
Canonical SMILES:	B(C1=C(C=CC(=C1)OC)OC)(O)O
InChI:	InChI=1S/C8H11BO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:	QOZLFNQLIKOGDR-UHFFFAOYSA-N
Boiling Point:	374.5 °C at 760 mmHg
Melting Point:	95-98 °C (lit.)
Flash Point:	Not applicable
Purity:	≥ 95 %
Density:	1.19 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD01318181
LogP:	-0.61640

Publication Number	Title	Priority Date
CN-112574216-A	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	20201216
CN-113354651-A	Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines	20200730
CN-111320575-A	Pyridine-2-aryl-3-sulfonamide compound and synthesis method and application thereof	20200408
WO-2021165735-A1	Biphenyl compounds as soce modulators, compositions and uses thereof	20200221
CN-111211327-A	Compound for lithium ion battery anode material and preparation method and application thereof	20200110

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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:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0750390
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.0750390
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0