2,3-Dichlorophenylboronic Acid - CAS 151169-74-3

Catalog:	BB010636
Product Name:	2,3-Dichlorophenylboronic Acid
CAS:	151169-74-3
Synonyms:	(2,3-dichlorophenyl)boronic acid; (2,3-dichlorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2,3-dichlorophenyl)boronic acid
Description:	Reactant for: Suzuki-Miyaura coupling reactions; Preparation of biologically and pharmacologically active molecules.
Molecular Weight:	190.82
Molecular Formula:	C6H5Cl2O2B
Canonical SMILES:	B(C1=C(C(=CC=C1)Cl)Cl)(O)O
InChI:	InChI=1S/C6H5BCl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChI Key:	TYIKXPOMOYDGCS-UHFFFAOYSA-N
Boiling Point:	349.8 °C at 760 mmHg
Melting Point:	125 °C (dec.) (lit.)
Flash Point:	Not applicable
Density:	1.47 g/cm³
MDL:	MFCD01075703
LogP:	0.67320

Publication Number	Title	Priority Date
CN-113248449-A	Aryl spiro-compound containing formamidine and preparation method and application thereof	20210506
CN-113150005-A	Quinoxaline compound, preparation method and application thereof in medicine	20210409
CN-111393459-A	SHP2 inhibitor and application thereof	20200416
WO-2021211864-A1	Fused tricyclic kras inhibitors	20200416
WO-2021204930-A1	Substituted condensed azines as anthelmintic compounds	20200409

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GHS Hazard Statement:	H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9759650
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.9759650
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0