4-Carboxy-3-chlorophenylboronic Acid - CAS 136496-72-5

Catalog:	BB008366
Product Name:	4-Carboxy-3-chlorophenylboronic Acid
CAS:	136496-72-5
Synonyms:	4-borono-2-chlorobenzoic acid; 4-borono-2-chlorobenzoic acid

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Computed Properties

IUPAC Name:	4-borono-2-chlorobenzoic acid
Description:	4-Carboxy-3-chlorophenylboronic Acid (CAS# 136496-72-5) is a useful research chemical.
Molecular Weight:	200.38
Molecular Formula:	C7H6ClO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)C(=O)O)Cl)(O)O
InChI:	InChI=1S/C7H6BClO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key:	QFAFGWXQNDYXPZ-UHFFFAOYSA-N
Boiling Point:	429.2 °C at 760 mmHg
Density:	1.55 g/cm³
MDL:	MFCD06656268
LogP:	-0.28200

Publication Number	Title	Priority Date
CN-113209028-A	Insulin-loaded glucose-sensitive phenylboronic acid group epsilon-polylysine particles and preparation method thereof	20210331
CN-111424429-A	Metal sulfide porous framework material, and preparation method and application thereof	20200430
US-2021077385-A1	Wet-packed soft hydrogel ocular inserts	20190918
WO-2021053586-A1	Wet-packed soft hydrogel ocular inserts	20190918
WO-2021050555-A1	Compositions and uses thereof	20190910

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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:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0047665
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	200.0047665
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0