| Identification | More | [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 Properties | Back Directory | [Appearance]
light yellow crystalline powder | [Melting point ]
237-240 °C(lit.)
| [Boiling point ]
295.67°C (rough estimate) | [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 Data | Back 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 |
| Hazard Information | Back 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 | [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.] |
|
|