ChemicalBook--->CAS DataBase List--->99-77-4

99-77-4

99-77-4 Structure

99-77-4 Structure
IdentificationMore
[Name]

Ethyl p-nitrobenzoate
[CAS]

99-77-4
[Synonyms]

4-NITROBENZOIC ACID ETHYL ESTER
AKOS B029802
ETHYL 4-NITROBENZOATE
ETHYL P-NITROBENZOATE
P-NITROBENZOIC ACID ETHYL ESTER
RARECHEM AL BI 0193
4-(ethoxycarbonyl)nitrobenzene
4-nitro-benzoicaciethylester
Benzoic acid, 4-nitro-, ethyl ester
Benzoic acid, p-nitro-, ethyl ester
Ethyl nitrobenzoate, para ester
Ethyl para-nitrobenzoate
p-nitro-benzoicaciethylester
PNBA-ME
4-Nitrobenzenecarboxylic acid ethyl ester
4-Nitrobenzoic acid O-ethyl ester
[EINECS(EC#)]

202-786-2
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD00007351
[Molecular Weight]

195.17
[MOL File]

99-77-4.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[Melting point ]

55-59 °C (lit.)
[Boiling point ]

182 °C
[density ]

1.3544 (rough estimate)
[refractive index ]

1.5700 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Crystalline Powder
[color ]

Yellow
[Merck ]

14,3832
[BRN ]

1912879
[InChI]

InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
[InChIKey]

PHWSCBWNPZDYRI-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C1=CC=C([N+]([O-])=O)C=C1
[CAS DataBase Reference]

99-77-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethyl 4-nitrobenzoate(99-77-4)
[EPA Substance Registry System]

99-77-4(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R33:Danger of cumulative effects.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

DH5600000
[TSCA ]

Yes
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Nitrobenzoic acid
[Preparation Products]

Benzocaine-->Benzocaine hydrochloride-->Ethyl 4-etoxybenzoate-->Ethyl 4-(butylamino)benzoate-->Isopropyl 4-aminobenzoate-->Benzoic acid, 2-hydroxy-4-nitro-, ethyl ester-->3-Cyano-4-isobutoxybenzoic acid
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

Ethyl 4-Nitrobenzoate is used in preparation of p-dimethylaminobenzoate compounds.
[General Description]

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
[Purification Methods]

Dissolve it in Et2O and wash it with aqueous alkali, then the ether is evaporated and the solid recrystallised from EtOH. [Beilstein 13 H 3787, 13 IV 1074.]
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl p-nitrobenzoate(99-77-4)MS
Ethyl p-nitrobenzoate(99-77-4)1HNMR
Ethyl p-nitrobenzoate(99-77-4)13CNMR
Ethyl p-nitrobenzoate(99-77-4)IR1
Ethyl p-nitrobenzoate(99-77-4)IR2
Ethyl p-nitrobenzoate(99-77-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 4-nitrobenzoate, 99%(99-77-4)
[Alfa Aesar]

Ethyl 4-nitrobenzoate, 98%(99-77-4)
[Sigma Aldrich]

99-77-4(sigmaaldrich)
[TCI AMERICA]

Ethyl 4-Nitrobenzoate,>98.0%(GC)(99-77-4)
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