4-Methoxy-3-nitrophenylboronic Acid - CAS 827614-67-5

Catalog:	BB036902
Product Name:	4-Methoxy-3-nitrophenylboronic Acid
CAS:	827614-67-5
Synonyms:	(4-methoxy-3-nitrophenyl)boronic acid; (4-methoxy-3-nitrophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-methoxy-3-nitrophenyl)boronic acid
Description:	4-Methoxy-3-nitrophenylboronic Acid (CAS# 827614-67-5) is a useful research chemical.
Molecular Weight:	196.95
Molecular Formula:	C7H8NO5B
Canonical SMILES:	B(C1=CC(=C(C=C1)OC)[N+](=O)[O-])(O)O
InChI:	InChI=1S/C7H8BNO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,10-11H,1H3
InChI Key:	HAQVJQNWHRUPBH-UHFFFAOYSA-N
Boiling Point:	406.1 °C at 760 mmHg
Density:	1.39 g/cm³
MDL:	MFCD03092922
LogP:	-0.19360

Publication Number	Title	Priority Date
CN-112939989-A	7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof	20210303
WO-2020264176-A1	Urea derivatives as cb1 allosteric modulators	20190628
KR-101505783-B1	Novel pyrrolopyridinyloxyphenylamide derivatives and use thereof	20140801
BR-112016000386-B1	tetrazolinone compounds, their use, pyridine compounds, plague control agent and method	20130712
CA-2916615-A1	Ido inhibitors	20130701

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.0495525
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	197.0495525
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0