3,4-Dimethylphenylboronic Acid - CAS 55499-43-9

Catalog:	BB029060
Product Name:	3,4-Dimethylphenylboronic Acid
CAS:	55499-43-9
Synonyms:	(3,4-dimethylphenyl)boronic acid; (3,4-dimethylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(3,4-dimethylphenyl)boronic acid
Description:	3,4-Dimethylphenylboronic Acid (CAS# 55499-43-9) is a useful research chemical.
Molecular Weight:	149.98
Molecular Formula:	C8H11O2B
Canonical SMILES:	B(C1=CC(=C(C=C1)C)C)(O)O
InChI:	InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5,10-11H,1-2H3
InChI Key:	KDVZJKOYSOFXRV-UHFFFAOYSA-N
Flash Point:	Not applicable
Appearance:	Solid
MDL:	MFCD01009694
LogP:	-0.01680

Publication Number	Title	Priority Date
CN-112939971-A	Coumarin compound and preparation method and application thereof	20210208
CN-112961140-A	Naphthoquinone heterocyclic compound and application thereof	20210208
CN-112480160-A	Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative	20201020
CN-111875618-A	Compound with multi-heterocyclic structure and application thereof	20200731
CN-111662308-A	SO (SO)2Compound with multi-heterocyclic structure and application thereof	20200710

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Related Functional Groups

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GHS Hazard Statement:	H302 (14.29%): 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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0852098
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.0852098
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0