4-Nitrobenzaldehyde - CAS 555-16-8

Catalog:	BB029076
Product Name:	4-Nitrobenzaldehyde
CAS:	555-16-8
Synonyms:	4-nitrobenzaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-nitrobenzaldehyde
Description:	4-Nitrobenzaldehyde (CAS# 555-16-8) is a benzaldehyde with a nitro group in the para position. It is used as a reagent in decarboxylative aldol reactions that are catalyzed by lipases and proteases in organic co-solvent mixtures.
Molecular Weight:	151.12
Molecular Formula:	C7H5NO3
Canonical SMILES:	C1=CC(=CC=C1C=O)[N+](=O)[O-]
InChI:	InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChI Key:	BXRFQSNOROATLV-UHFFFAOYSA-N
Boiling Point:	299.6 ℃ at 760 mmHg
Density:	1.338 g/cm³
Appearance:	Light yellow powder
MDL:	MFCD00007346
LogP:	1.93050
Vapor Pressure:	0.00354 [mmHg]

Publication Number	Title	Priority Date
CN-113416138-A	Henry type reaction method of iron mediated aldehyde and bromonitromethane and product	20210721
CN-113512072-A	Metal iridium (III) complex and preparation method and application thereof	20210720
CN-113499860-A	Efficient flotation method for smelting slag recycled by copper regeneration	20210708
CN-113372238-A	Imine compound and its synthesis method and use	20210630
CN-113511990-A	N-protected (E) -2- (aminomethyl) -1, 3-diphenylprop-2-en-1-one derivatives and preparation thereof	20210630

PMID	Publication Date	Title	Journal
33617879	20210101	Selective targeting of the inactive state of hematopoietic cell kinase (Hck) with a stable curcumin derivative	The Journal of biological chemistry
30926317	20190525	Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11	Chemico-biological interactions
24246760	20140125	Biochemical properties of human dehydrogenase/reductase (SDR family) member 7	Chemico-biological interactions
23064551	20121201	Supramolecular and structural modification on conformational by mixed ligand	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22911135	20121009	Aldol reactions catalyzed by L-proline functionalized polymeric nanoreactors in water	Chemical communications (Cambridge, England)

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

GHS Hazard Statement:	H315 (35.38%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.026943022
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.026943022
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6