3-Methoxy-4-nitrobenzaldehyde - CAS 80410-57-7

Name: 3-Methoxy-4-nitrobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036498
Product Name:	3-Methoxy-4-nitrobenzaldehyde
CAS:	80410-57-7
Synonyms:	3-methoxy-4-nitrobenzaldehyde; 3-methoxy-4-nitrobenzaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-methoxy-4-nitrobenzaldehyde
Description:	3-Methoxy-4-nitrobenzaldehyde (CAS# 80410-57-7) is a useful research chemical.
Molecular Weight:	181.15
Molecular Formula:	C8H7NO4
Canonical SMILES:	COC1=C(C=CC(=C1)C=O)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3
InChI Key:	WUTIWOZYHHSBBU-UHFFFAOYSA-N
Boiling Point:	334.8 °C at 760 mmHg
Density:	1.322 g/cm³
LogP:	1.93910

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[5000-66-8]C8H6BrClO
2-Bromo-2'-chloroacetophenone
[116952-58-0]C14H18N2O3
2-Ethoxycarbonyl-5-methoxytryptamine
[37503-42-7]C10H14O3
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[940-31-8]C9H10O3
2-Phenoxypropionic acid

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GHS Hazard Statement:	H302 (100%): 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

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.03750770
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.03750770
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4