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

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

Technical Data

Safety and Hazards

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

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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

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