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ChemicalBook--->CAS DataBase List--->62-23-7

62-23-7

62-23-7 Structure

62-23-7 Structure
IdentificationMore
[Name]

p-Nitrobenzoic acid
[CAS]

62-23-7
[Synonyms]

1-CARBOXY-4-NITROBENZENE
4-NITROBENZOIC ACID
4-NITROPHENYL METHANOIC ACID
NITROBENZOIC(4-) ACID
PARA NITRO-BENZOIC ACID
PNBA
P-NITROBENZOIC ACID
P-NITROBENZOIC ACID AND ESTERS
RARECHEM AL BO 0233
4-nitro-benzoicaci
4-Nitrodracylic acid
4-nitrodracylicacid
acide4-nitrobenzoique
Benzoic acid, p-nitro-
Benzoicacid,4-nitro-
Kyselina p-nitrobenzoova
kyselinap-nitrobenzoova
kyselinap-nitrobenzoova(czech)
Nitrodracylic acid
nitrodracylicacid
[EINECS(EC#)]

200-526-2
[Molecular Formula]

C7H5NO4
[MDL Number]

MFCD00007352
[Molecular Weight]

167.12
[MOL File]

62-23-7.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow crystalline powder
[Melting point ]

237-240 °C(lit.)
[Boiling point ]

295.67°C (rough estimate)
[bulk density]

700kg/m3
[density ]

1.61
[refractive index ]

1.6280 (estimate)
[Fp ]

237 °C
[storage temp. ]

Store below +30°C.
[solubility ]

0.42g/l
[form ]

Crystalline Powder
[pka]

3.41(at 25℃)
[color ]

Light yellow
[PH]

3.1 (0.42g/l, H2O, 20℃)(saturated solution)
[Stability:]

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

<0.1 g/100 mL at 26 ºC
[Merck ]

14,6589
[BRN ]

973593
[Concentration]

0.1 mCi/ml
[Solvent]

Ethanol
[Specific Activity]

50-60 mCi/mmol
[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]

62-23-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S24/25:Avoid contact with skin and eyes .
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium dichromate dihydrate-->4-Nitrotoluene-->Chloramphenicol-->2-Amino-1-(4-nitrophenyl)-1,3-propanediol
[Preparation Products]

4-Aminobenzoic acid-->6-Quinolinylmethanol-->4-Nitrobenzoyl chloride-->4-Aminobenzamidine dihydrochloride-->Methyl 4-aminobenzoate-->DIMINAZENE ACETURATE-->Batyl alcohol-->4-AMINOBENZANILIDE-->p-Aminobenzamide-->Benoxinate Hydrochloride-->4-Benzoyl Acetanilide-->4-Nitrobenzonitrile-->N-(p-Aminobenzoyl)glutamic acid-->Butethamine-->N-(2-(2-DIETHYLAMINO)ETHYL)-4-NITROBENZAMIDE-->ISOPROPYL 4-AMINOBENZOATE-->Procaine hydrochloride-->3,4-Diaminobenzoic acid-->4-Aminophthalic acid-->2-diethylaminoethyl 4-nitrobenzoate-->Ethyl p-nitrobenzoate-->Procaine-->Methyl 4-nitrobenzoate
Hazard InformationBack Directory
[General Description]

Odorless pale yellow crystals.
[Reactivity Profile]

P-NITROBENZOIC ACID(62-23-7) is incompatible with strong oxidizers. P-NITROBENZOIC ACID(62-23-7) is also incompatible with strong bases (potassium hydroxide). P-NITROBENZOIC ACID(62-23-7) may react with cyanides.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This chemical is combustible.
[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.
[Definition]

ChEBI: A nitrobenzoic acid having the nitro group at the 4-position.
[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.
[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
[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.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrobenzoic acid(62-23-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

p-Nitrobenzoic acid(62-23-7)MS
p-Nitrobenzoic acid(62-23-7)1HNMR
p-Nitrobenzoic acid(62-23-7)13CNMR
p-Nitrobenzoic acid(62-23-7)IR1
p-Nitrobenzoic acid(62-23-7)IR2
p-Nitrobenzoic acid(62-23-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrobenzoic acid, 99+%(62-23-7)
[Alfa Aesar]

4-Nitrobenzoic acid, 99%(62-23-7)
[Sigma Aldrich]

62-23-7(sigmaaldrich)
[TCI AMERICA]

4-Nitrobenzoic Acid,>99.0%(GC)(T)(62-23-7)
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