4-Bromo-2-nitroanisole - CAS 33696-00-3

Name: 4-Bromo-2-nitroanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021822
Product Name:	4-Bromo-2-nitroanisole
CAS:	33696-00-3
Synonyms:	4-bromo-1-methoxy-2-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-methoxy-2-nitrobenzene
Description:	4-Bromo-2-nitroanisole (CAS# 33696-00-3) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC1=C(C=C(C=C1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C7H6BrNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChI Key:	ORBHQHXVVMZIDP-UHFFFAOYSA-N
Boiling Point:	303.3 °C at 760 mmHg
Melting Point:	87 °C
Purity:	95 %
Density:	1.64 g/cm³
MDL:	MFCD00055529
LogP:	2.88910

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[514801-07-1]C13H12ClN3O4
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

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C50H68O34
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[29278-68-0]C34H30O8
1,4-Butanediol Terephthalate Dibenzyl Ester
[6872-53-3]C7H11NO2
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[868161-59-5]C15H19NO
(E,E)-5-[4-(Diethylamino)phenyl]penta-2,4-dienal
[548777-18-0]C9H9NO2
1-(Pent-4-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
[1330180-78-3]C7H7NO4
4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide

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

Publication Number	Title	Priority Date
WO-2021208918-A1	Tricyclic compounds as egfr inhibitors	20200414
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AU-2018297592-A1	New substituted azaindoline derivatives as NIK inhibitors	20170706

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5