4,5-Dihydroxy-2-nitrobenzaldehyde - CAS 73635-75-3

Catalog:	BB062966
Product Name:	4,5-Dihydroxy-2-nitrobenzaldehyde
CAS:	73635-75-3
Synonyms:	2-Nitro-4,5-dihydroxybenzaldehyde

Technical Data

IUPAC Name:	4,5-dihydroxy-2-nitrobenzaldehyde
Description:	4,5-Dihydroxy-2-nitrobenzaldehyde is used as a reagent in the synthesis of 5,6-diacetoxyindole which is a stable eumelanin precursor. 4,5-Dihydroxy-2-nitrobenzaldehyde is also used in the preparation of 6-aminoisoproterenol which is an impurity of the non-selective beta-adrenergic agonist, Isoproterenol (I874200, HCl).
Molecular Weight:	183.12
Molecular Formula:	C7H5NO5
Canonical SMILES:	C1=C(C(=CC(=C1O)O)[N+](=O)[O-])C=O
InChI:	InChI=1S/C7H5NO5/c9-3-4-1-6(10)7(11)2-5(4)8(12)13/h1-3,10-11H
InChI Key:	SDAAKNQPCGUCNH-UHFFFAOYSA-N
Solubility:	DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	Dark Yellow to Very Dark Brown Solid
Storage:	Amber Vial, Refrigerator
References:	Murphy, B.P. J. Org. Chem., 50, 5873 (1985); Avery, M.A., et al. J. Org. Chem., 45, 2750 (1980); Kikkawa, H. et al. Biol. Pharmac. Bull., 17, 1047 (1994); Kral, P. et al. Psychopharmacologia, 26, 79 (1972); Giles, R.E. et al. J. Pharmacol. Exp. Ther., 186, 472 (1973).

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.01677226
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.01677226
Rotatable Bond Count:	1
Topological Polar Surface Area:	103Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5