4-Nitrophenyl acetate - CAS 830-03-5

Catalog:	BB036946
Product Name:	4-Nitrophenyl acetate
CAS:	830-03-5
Synonyms:	(4-nitrophenyl) acetate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(4-nitrophenyl) acetate
Description:	4-Nitrophenyl Acetate have been used as a substrate to study for the enzymatic activity of Carbonic Anhydrase III isolated from bovine skeletal muscle.
Molecular Weight:	181.15
Molecular Formula:	C8H7NO4
Canonical SMILES:	CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
InChI Key:	QAUUDNIGJSLPSX-UHFFFAOYSA-N
Boiling Point:	296.8 °C at 760 mmHg
Melting Point:	76-79 °C
Purity:	95 %
Density:	1.304 g/cm³
Appearance:	Off-white or beige powder
Storage:	-20 °C
MDL:	MFCD00007326
LogP:	2.04330
Vapor Pressure:	0.00186 [mmHg]

Publication Number	Title	Priority Date
CN-112961508-A	Heat-preservation flame-retardant plastic-wood composite material plate and production method thereof	20210221
CN-112662596-A	Intermediate-temperature bacterium for producing alkali-resistant, metal ion-resistant and organic solvent ester hydrolase and application thereof	20210125
CN-112760306-A	Family six ester hydrolase with high salinity, organic solvent and detergent tolerance, and coding gene and application thereof	20210125
CN-112779186-A	Mesophilic bacterium for producing ester hydrolase simultaneously resisting high salinity, organic solvent and detergent and application thereof	20210119
CN-112779188-A	Medium-temperature bacterium for producing high-salinity tolerance ester hydrolase and application thereof	20210119

PMID	Publication Date	Title	Journal
27132127	20160415	Esterase detoxication of acetylcholinesterase inhibitors using human liver samples in vitro	Toxicology
25450233	20150605	Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1	Chemico-biological interactions
24727322	20140615	P-glycoprotein, CYP3A, and plasma carboxylesterase determine brain and blood disposition of the mTOR Inhibitor everolimus (Afinitor) in mice	Clinical cancer research : an official journal of the American Association for Cancer Research
22917524	20121101	p-Hydroxybenzoate esters metabolism in MCF7 breast cancer cells	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
23003572	20121031	Molecular characterization of a novel arylesterase from the wine-associated acetic acid bacterium Gluconobacter oxidans 621H	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
Precautionary Statement:	P210, P220, P221, P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P370+P378, and P501
Signal Word:	Danger

Complexity:	203
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:	1.5