Benzocaine Impurity 4 (Ethyl p-Nitrobenzoate)

Basic Information

View in Editor

CAS Number

99-77-4

Molecular Formula

C9H9NO4

Molecular Weight

195.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

55-59 °C

Boiling Point

182°C

Density

1.3544 (rough estimate)

Flash Point

148.2 °C

Refractive Index

1.5700 (estimate)

SMILES

View in Editor

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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

LogP

2.29470

Complexity

215

Safety Information

View Safety Information

GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

F0001-2339
UNII-1OCH6Y8NAR
CS-0016919
p-NitrobenzoesA currencyureA currencythylester
NSC-6763
4-ETHOXYCARBONYL-1-NITROBENZENE
(4-bromo-3,5-dimethyl-pyrazol-1-yl)methanol
EINECS 202-786-2
D70266
4-(Ethoxycarbonyl)nitrobenzene
FT-0631523
4-09-00-01074 (Beilstein Handbook Reference)
NS00022929
(4-bromo-3,5-dimethyl-pyrazol-1-yl)methanol;Ethyl 4-nitrobenzoate
Z53834185
AS-10873
Benzoic acid, 4-nitro-, ethyl ester
Q27252689
Ethyl 4-nitrobenzoate, >=98.0% (GC)
AI3-08652
WLN: WNR DVO2
N0485
ETHYL 4-NITROBENZOATE [USP IMPURITY]
NSC 6763
CHEMBL2260715
4-Nitrobenzoic acid ethyl ester
4-nitro-benzoic acid ethyl ester
ETHYL-P-NITROBENZOATE
Ethyl 4-nitrobenzoate, United States Pharmacopeia (USP) Reference Standard
p-Nitrobenzoic acid, ethyl ester
AKOS000313784

MDL Number

MFCD00007351

Customs Code

2916399090

FAQ

What is Benzocaine Impurity 4 (CAS: 99-77-4)?

Benzocaine Impurity 4, also known as ethyl p-nitrobenzoate, is a chemical compound used as a raw material in the synthesis of pharmaceuticals. It has the chemical formula C9H9NO2. This impurity has a yellow to light yellow crystalline form and is soluble in ethanol and methanol.

What are the main uses of Benzocaine Impurity 4 (CAS: 99-77-4)?

Benzocaine Impurity 4 (CAS: 99-77-4) is primarily used in the pharmaceutical industry as a precursor in the synthesis of benzocaine, a local anesthetic. It also finds use in the production of other organic compounds and as a reagent in organic synthesis.

Is Benzocaine Impurity 4 (CAS: 99-77-4) safe?

Benzocaine Impurity 4 (CAS: 99-77-4) is generally considered safe when handled under appropriate conditions. However, it is mildly toxic and can cause skin irritation. Proper protective measures, such as gloves and goggles, should be worn during handling. Follow all safety standards and use in a well-ventilated area.

How should Benzocaine Impurity 4 (CAS: 99-77-4) be stored?

Benzocaine Impurity 4 (CAS: 99-77-4) should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent contamination and degradation. Store it at room temperature, ideally between 15-25°C, and ensure it is protected from humidity and moisture.