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830-03-5

830-03-5 Structure

830-03-5 Structure
IdentificationMore
[Name]

4-NITROPHENYL ACETATE
[CAS]

830-03-5
[Synonyms]

4-NITROPHENYL ACETATE
ACETIC ACID 4-NITROPHENYL ESTER
P-ACETOXYNITROBENZENE
P-NITROPHENYL ACETATE
4-Nitrophenylacetat
4-Nitropheyl acetate
Acetic acid, p-nitrophenyl ester
aceticacid,p-nitrophenylester
Essigsαure-4-nitrophenylester
Phenol, p-nitro-, acetate
Phenol,p-nitro-,acetate
p-Nitrobenzene acetate
p-Nitrobenzeneacetate
p-Nitrophenol acetate
p-nitrophenolacetate
p-nitrophenyl
P-NitrophenylAcetateA.R.
PARA-NITROPHENYLACETATE
4-NITROPHENYL ACETATE 98+%
4-Acetoxy-1-nitrobenzene
[EINECS(EC#)]

212-593-5
[Molecular Formula]

C8H7NO4
[MDL Number]

MFCD00007326
[Molecular Weight]

181.15
[MOL File]

830-03-5.mol
Chemical PropertiesBack Directory
[Appearance]

off-white or beige powder
[Melting point ]

75-77 °C (lit.)
[Boiling point ]

314.24°C (rough estimate)
[density ]

1.4283 (rough estimate)
[vapor pressure ]

1.28Pa at 20℃
[refractive index ]

1.5468 (estimate)
[storage temp. ]

−20°C
[solubility ]

0.53g/l
[form ]

Powder
[color ]

Green
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

Insoluble in water.
[BRN ]

515874
[InChI]

1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
[InChIKey]

QAUUDNIGJSLPSX-UHFFFAOYSA-N
[SMILES]

[N+](=O)([O-])c1ccc(cc1)OC(=O)C
[LogP]

1.58 at 25℃ and pH6.83
[CAS DataBase Reference]

830-03-5(CAS DataBase Reference)
[EPA Substance Registry System]

Acetic acid, 4-nitrophenyl ester (830-03-5)
Safety DataBack Directory
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
[WGK Germany ]

3
[RTECS ]

AJ1150000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29153900
[Storage Class]

5.1B - Oxidizing hazardous materials
[Hazard Classifications]

Eye Dam. 1
Ox. Sol. 3
Skin Sens. 1
[Toxicity]

LD50 ivn-mus: 180 mg/kg CSLNX* NX#00217
Hazard InformationBack Directory
[Chemical Properties]

off-white or beige powder
[Uses]

4-Nitrophenyl Acetate have been used as a substrate to study for the enzymatic activity of Carbonic Anhydrase III isolated from bovine skeletal muscle.
[Uses]

4-Nitrophenyl acetate is used with iodoacetic acid for reductive cleavage of methionine-containing peptides. It is also used as a substrate that has been used in assays for esterase and lipase activity. Inorganic complexes have been evaluated for their methanolysis or hydrolysis activity using p-nitrophenyl acetate.
[Definition]

ChEBI: An acetate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid.
[Synthesis Reference(s)]

Synthesis, p. 991, 1981 DOI: 10.1055/s-1981-29674
[Safety Profile]

Poison by intravenous route. Whenheated to decomposition it emits toxic fumes of NOx.
[Purification Methods]

Recrystallise the ester from absolute EtOH [Moss et al. J Am Chem Soc 108 5520 1986]. [Beilstein 6 IV 1298.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROPHENYL ACETATE(830-03-5)MS
4-NITROPHENYL ACETATE(830-03-5)1HNMR
4-NITROPHENYL ACETATE(830-03-5)13CNMR
4-NITROPHENYL ACETATE(830-03-5)IR1
4-NITROPHENYL ACETATE(830-03-5)IR2
4-NITROPHENYL ACETATE(830-03-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrophenyl acetate, 97%(830-03-5)
[Alfa Aesar]

4-Nitrophenyl acetate, 98+%(830-03-5)
[Sigma Aldrich]

830-03-5(sigmaaldrich)
[TCI AMERICA]

4-Nitrophenyl Acetate,>98.0%(GC)(T)(830-03-5)
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