4-Chloro-3-methylphenylboronic Acid - CAS 161950-10-3

Catalog:	BB011799
Product Name:	4-Chloro-3-methylphenylboronic Acid
CAS:	161950-10-3
Synonyms:	(4-chloro-3-methylphenyl)boronic acid; (4-chloro-3-methylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-chloro-3-methylphenyl)boronic acid
Description:	4-Chloro-3-methylphenylboronic Acid (CAS# 161950-10-3) is a useful research chemical.
Molecular Weight:	170.40
Molecular Formula:	C7H8ClO2B
Canonical SMILES:	B(C1=CC(=C(C=C1)Cl)C)(O)O
InChI:	InChI=1S/C7H8BClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChI Key:	UZDPQDBLCJDUAX-UHFFFAOYSA-N
Boiling Point:	317.5 °C at 760 mmHg
Density:	1.26 g/cm³
MDL:	MFCD02683104
LogP:	0.32820

Publication Number	Title	Priority Date
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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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0305874
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.0305874
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0