ChemicalBook > CAS DataBase List > 4-Nitrobenzoic acid

4-Nitrobenzoic acid

Product Name
4-Nitrobenzoic acid
CAS No.
62-23-7
Chemical Name
4-Nitrobenzoic acid
Synonyms
4-NITROBENZOIC ACID;PNBA;4-Nitrobenzoic;p-nitrobenzoic;PARA-NITROBENZOATE;-Nitrobenzoic Acid;19/KG;nitrodracylicacid;4-Nitrobenzoesure;Nitrodracylic acid
CBNumber
CB4252540
Molecular Formula
C7H5NO4
Formula Weight
167.12
MOL File
62-23-7.mol
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4-Nitrobenzoic acid Property

Melting point:
237-240 °C(lit.)
Boiling point:
295.67°C (rough estimate)
Density 
1.61
refractive index 
1.6280 (estimate)
Flash point:
237 °C
storage temp. 
Store below +30°C.
solubility 
0.42g/l
pka
3.41(at 25℃)
form 
Crystalline Powder
color 
Light yellow
PH
3.1 (0.42g/l, H2O, 20℃)(saturated solution)
Water Solubility 
<0.1 g/100 mL at 26 ºC
Merck 
14,6589
BRN 
973593
Specific Activity
50-60 mCi/mmol
Concentration
0.1 mCi/ml
Solvent
Ethanol
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases.
InChIKey
OTLNPYWUJOZPPA-UHFFFAOYSA-N
LogP
1.890
CAS DataBase Reference
62-23-7(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 4-nitro-(62-23-7)
EPA Substance Registry System
p-Nitrobenzoic acid (62-23-7)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-41-36
Safety Statements 
26-39-24/25
WGK Germany 
1
RTECS 
DH5075000
TSCA 
Yes
HS Code 
29163900
Hazardous Substances Data
62-23-7(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1960 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H341Suspected of causing genetic defects

H351Suspected of causing cancer

Precautionary statements

P202Do not handle until all safety precautions have been read and understood.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P308+P313IF exposed or concerned: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.00646
Product name
4-Nitrobenzoic acid
Purity
for synthesis
Packaging
100g
Price
$43.4
Updated
2024/03/01
Sigma-Aldrich
Product number
8.00646
Product name
4-Nitrobenzoic acid
Purity
for synthesis
Packaging
500g
Price
$59.4
Updated
2024/03/01
Sigma-Aldrich
Product number
PHR2339
Product name
4-Nitrobenzoic Acid
Purity
Pharmaceutical Secondary Standard; Certified Reference Material
Packaging
100MG
Price
$534
Updated
2024/03/01
Sigma-Aldrich
Product number
8.00646
Product name
4-Nitrobenzoic acid
Purity
for synthesis
Packaging
50kg
Price
$2200
Updated
2024/03/01
Sigma-Aldrich
Product number
461091
Product name
4-Nitrobenzoic acid
Purity
98%
Packaging
1kg
Price
$44.46
Updated
2024/03/01
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4-Nitrobenzoic acid Chemical Properties,Usage,Production

Chemical Properties

light yellow crystalline powder

Uses

4-Nitrobenzoic Acid is used in the synthesis of anti-Trypanosoma cruzi agents in the treatment of chagas disease.

Production Methods

p-Nitrobenzoic acid is produced commercially by the oxidation of 4-nitrotoluene with molecular oxygen. Oxidation with 15 % nitric acid at 175 ℃ produces the acid in 88.5 % yield. An interesting method involves the nitration and subsequent oxidation of polystyrene. This method uses the steric hindrance of the polymer chain to improve the para to ortho ratio of the product.

Definition

ChEBI: A nitrobenzoic acid having the nitro group at the 4-position.

Synthesis Reference(s)

Tetrahedron Letters, 26, p. 2387, 1985 DOI: 10.1016/S0040-4039(00)94834-2
Journal of the American Chemical Society, 72, p. 5012, 1950 DOI: 10.1021/ja01167a051

General Description

Odorless pale yellow crystals.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

p-Nitrobenzoic acid is incompatible with strong oxidizers. p-Nitrobenzoic acid is also incompatible with strong bases (potassium hydroxide). p-Nitrobenzoic acid may react with cyanides.

Fire Hazard

p-Nitrobenzoic acid is combustible.

Toxicology

Among various nitroaromatics, 4-nitrobenzoic acid (4-NBA) is one of the simplest and basic derivates of the explosives. Moreover, 4-NBA harms human health and causes severe water and atmosphere pollution. 4-Nitrobenzoic acid is stable, toxic, and non-biodegradable. US/Zn0 was found to degrade more than 85% of 4-nitrobenzoic acid in 30 min. There was an apparent synergistic effect between ultrasound and Zn[1-2].

Purification Methods

Purify it as for 3-nitrobenzoic acid above. The amide has m 201.6o (from H2O). [Beilstein 9 III 1537, 9 IV 1072.]

References

[1] Shan Chong. “Ultrasound/Zn0 for aqueous 4-nitrobenzoic acid degradation.” Desalination and Water Treatment 322 1 (2016): 24990–24998.
[2] Xue-Huan Xin . “A luminescent barium-based metal-organic framework: Synthesis, structure and efficient detection of 4-nitrobenzoic acid.” Inorganic Chemistry Communications 97 (2018): Pages 129-133.

4-Nitrobenzoic acid Preparation Products And Raw materials

Raw materials

2-Amino-1-(4-nitrophenyl)-1,3-propanediol Sodium dichromate dihydrate Chloramphenicol 4-Nitrotoluene Manganese ore powder

Preparation Products

Benoxinate Hydrochloride 4-Nitrobenzonitrile 6-Quinolinylmethanol 4-Nitrobenzoyl chloride N-(p-Aminobenzoyl)glutamic acid Methyl 4-nitrobenzoate Methyl 4-aminobenzoate 4-Benzoyl Acetanilide 2-diethylaminoethyl 4-nitrobenzoate 4-Aminobenzoic acid 4-Aminobenzamidine dihydrochloride Butethamine ISOPROPYL 4-AMINOBENZOATE Ethyl p-nitrobenzoate Batyl alcohol 4-AMINOBENZANILIDE 3,4-Diaminobenzoic acid Procaine hydrochloride N-(2-(2-DIETHYLAMINO)ETHYL)-4-NITROBENZAMIDE p-Aminobenzamide 4-Aminophthalic acid DIMINAZENE ACETURATE Procaine
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View Lastest Price from 4-Nitrobenzoic acid manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
p-Nitrobenzoic acid 62-23-7
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-11-19
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
4-Nitrobenzoic acid 62-23-7
Price
US $62.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
5000kg/week
Release date
2024-05-24
Shanghai Xin Cheng Yue Chemical Co.,Ltd
Product
P-Nitrobenzoic acid 62-23-7
Price
US $0.00/kg
Min. Order
1000kg
Purity
99.9%
Supply Ability
10000ton
Release date
2024-01-25

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