1,2-(Methylenedioxy)-4-nitrobenzene - CAS 2620-44-2

Name: 1,2-(Methylenedioxy)-4-nitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019194
Product Name:	1,2-(Methylenedioxy)-4-nitrobenzene
CAS:	2620-44-2
Synonyms:	5-nitro-1,3-benzodioxole

Technical Data

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Computed Properties

IUPAC Name:	5-nitro-1,3-benzodioxole
Description:	1,2-(Methylenedioxy)-4-nitrobenzene (CAS# 2620-44-2) is a useful research chemical.
Molecular Weight:	167.12
Molecular Formula:	C7H5NO4
Canonical SMILES:	C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChI Key:	SNWQAKNKGGOVMO-UHFFFAOYSA-N
Boiling Point:	278.1 °C at 760 mmHg
Melting Point:	145-149 °C
Purity:	95 %
Density:	1.486 g/cm³
Appearance:	Yellow fine crystalline powder
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD00005824
LogP:	1.84670

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111393336-A	Sulfonamide compound, and metal-free catalysis construction method and application thereof	20200309
US-2021230173-A1	Heterocyclic lsf inhibitors and their uses	20200124
CN-108558683-B	2- (2-diethylaminoethoxy) -5-nitrophenol and preparation method and application thereof	20180509
CN-110869368-A	Preparation method of (2S) -2- [ (1H-pyrazol-1-yl) methyl ] -1, 3-oxazinane derivative	20170713
CA-3058273-A1	Modified mussel proteins, uses thereof and related compounds	20170328

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.02185764
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.02185764
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4