| Identification | More | [Name]
3,5-Dinitrobenzoic acid | [CAS]
99-34-3 | [Synonyms]
3,5-DINITROBENZOIC ACID
3-CARBOXY-1,5-DINITROBENZENE
DINITROBENZOIC-3,5 ACID
DINITROBENZOIC ACID,3,5-
RARECHEM AL BO 0231
TIMTEC-BB SBB007840
3,5-dinitrobenzoic
3,5-dinitro-benzoicaci
Dinitrobenzoic acid
3,5-DINITROBENZOIC ACID*PHOTOGRAPHIC GRA DE
3-5-DINITROBENZOIC ACID CRYSTALLINE
3,5-DINITROBENZOIC ACID OEKANAL, 250 MG
3,5-DinitrobenzoicAcidGr
3,5-DNBAfreeofsulfur
Benzoic acid, 3,5-dinitro-
3,5-DINITROBENZOICACID,REAGENT
DINITROBENZOIC ACID,3,5-(RG)
3,5-DINITROBENZOICAICD
3,5-DINITROBENZOATE
3,5-DINITROBENZOIC ACID 99+% | [EINECS(EC#)]
202-751-1 | [Molecular Formula]
C7H4N2O6 | [MDL Number]
MFCD00007253 | [Molecular Weight]
212.12 | [MOL File]
99-34-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white or off-white solid | [Melting point ]
204-206 °C (lit.) | [Boiling point ]
351.93°C (rough estimate) | [density ]
1.683
| [refractive index ]
1.5300 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
ethanol: soluble0.5g/10 mL, clear, yellow to very deep greenish-yellow | [form ]
Solid | [pka]
pK1:2.85 (25°C) | [color ]
Yellow crystalline | [PH Range]
2.7 | [Stability:]
Stable. Contact with strong bases may lead to fire. Incompatible with strong bases, strong oxidizing agents. | [Water Solubility ]
1350 mg/L (25 ºC) | [Merck ]
14,3276 | [BRN ]
1914286 | [Henry's Law Constant]
8.0×104 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) | [InChI]
1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11) | [InChIKey]
VYWYYJYRVSBHJQ-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O | [LogP]
1.51 at 20℃ | [CAS DataBase Reference]
99-34-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 3,5-dinitro-(99-34-3) | [EPA Substance Registry System]
99-34-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335-H413 | [Precautionary statements ]
P261-P264-P273-P301+P312-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xn,F | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R68:Possible risk of irreversible effects.
R11:Highly Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN1325 | [WGK Germany ]
3
| [RTECS ]
DG9140700
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
4.1 | [PackingGroup ]
III | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Nitric acid-->Benzamide, N-butyl-4-methoxy--->Phenol, 4-nitro-, ion(1-) (9CI)-->Benzoic acid, 3,5-dinitro-, 4-nitrophenyl ester-->Benzene, 1,3,5-trimethyl-2-[(4-methylphenyl)methyl]--->Benzonitrile, 2-chloro-4,6-dinitro--->Benzamide,N-butyl-3,5-dinitro--->Ethyl 3,5-dinitrobenzoate-->1,3-Dinitronaphthalene-->Methyl 3,5-dinitrobenzoate-->3,5-dinitrotoluene-->Butylamine-->3-Nitrobenzoic acid-->4-Methoxybenzoic acid | [Preparation Products]
3-Bromo-5-iodobenzoic acid-->3-Bromo-5-nitrobenzoic acid-->3-Amino-5-bromo-benzoic acid-->3,5-Dinitrobenzoyl chloride-->3-Amino-5-nitrobenzoic acid-->Diatrizoic Acid Dihydrate-->Disperse Brown 30 |
| Hazard Information | Back Directory | [Chemical Properties]
white or off-white solid | [Uses]
3,5-Dinitrobenzoic acid, is used as a reagent used in the derivatization of resins and the determination of ampicillin. | [Uses]
3,5-nitrobenzoic acid is an important intermediate for organic synthesis, in the pharmaceutical industry for the synthesis sulfachrysoidine and for the detection of ampicillin. | [Application]
3,5-Dinitrobenzoic Acid is used in fluorometric analysis of creatinine (which is a determinant of kidney function). Also used as a reagent in the synthesis of several organic compounds including that of rhodanine derivatives that act as aldose reductase inhibitors. | [Definition]
ChEBI: A member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups. | [Preparation]
3,5-Dinitrobenzoic acid is synthesized by nitration of benzoic acid. Sulfuric acid was added to the dry reaction pot, and benzoic acid was added under stirring. Heat to 60°C, add fuming nitric acid dropwise, and complete the dropwise addition below 85°C. React at 80-85°C for 1 h, 100°C for 0.5-1h, and then heat up to 135°C for 2h. Leave overnight. The reaction solution was put into ice water to separate out crystals, filtered, washed with water and then washed with 50% ethanol to obtain 3,5-dinitrobenzoic acid. Yield 70%. | [General Description]
3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms. | [Purification Methods]
Crystallise the acid from distilled H2O or 50% EtOH (4mL/g). Dry it in a vacuum desiccator or at 70o over BaO under a vacuum for 6hours. [Beilstein 9 II 279, 9 III 1779, 9 IV 1242.] |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
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