4-Chloro-3,5-dinitrobenzoic acid
- CAS NO.：118-97-8
- Empirical Formula: C7H3ClN2O6
- Molecular Weight: 246.56
- MDL number: MFCD00007080
- EINECS: 204-290-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 03:50:49
What is 4-Chloro-3,5-dinitrobenzoic acid?
Chemical properties
yellow crystals
The Uses of 4-Chloro-3,5-dinitrobenzoic acid
4-Chloro-3,5-dinitrobenzoic-15N2 Acid is an intermediate in synthesizing Lodoxamide-15N2,d2 (L469367), a labelled form of Lodoxamide. It is an antiallergic drug that acts as a mast cell stabilizer. It is effective in the treatment of allergic conjunctivitis and in decreasing vascular permeability.
Hazard
irritant
Synthesis
The synthesis of 4-Chloro-3,5-dinitrobenzoic acid is as follows:
4-chloro-benzoic acid (20 g, 0.128 mol) was dissolved in H2SO4 (d = 1.835 g/mL, 300 mL) at80 C, and KNO3 (66 g, 0.65 mol) was added. The reaction mixture was heated to 125 C using ahigh-pressure flask and kept for 2 h, after which the reaction was cooled to rt and poured onto ice.The yield of 4-Chloro-3,5-dinitrobenzoic acid was 28 g (89%) .
Purification Methods
Crystallise the acid from EtOH/ H2O, EtOH or *C6H6. The 1:1 naphthalene complex (by fusing various ratios of ingredients and recrystallising from EtOH) has m 122o. [Beilstein 9 H 416, 9 III 1953, 9 IV 1360.]
Properties of 4-Chloro-3,5-dinitrobenzoic acid
| Melting point: | 159-162 °C (lit.) |
| Boiling point: | 315°C |
| Density | 1.9543 (rough estimate) |
| refractive index | 1.6500 (estimate) |
| Flash point: | 186°C |
| storage temp. | Sealed in dry,2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 2?+-.0.10(Predicted) |
| color | Light orange to Yellow to Green |
| BRN | 668253 |
| InChI | InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12) |
| CAS DataBase Reference | 118-97-8(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 4-chloro-3,5-dinitro- (118-97-8) |
Safety information for 4-Chloro-3,5-dinitrobenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 4-Chloro-3,5-dinitrobenzoic acid
| InChIKey | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC([N+]([O-])=O)=C(Cl)C([N+]([O-])=O)=C1 |
New Products
2-Amino-5-bromo- benzoic acid Dibenzoyl-L-tartaric acid Anhydrous (Resolution Reagent) 1,2,3,9-Tetrahydro-9-Methyl-4H-Carbazole-4-One Cis-Tosylate Dibenzo[b,f][1,4]thiazepin-11(10H)-one BOC Piperazine N-Methyl-2-amino-2-methylpropionamide 4-(FMOC-AMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID 1-Aminocyclobutanecarboxylic Acid Hydrochloride 3-Oxocyclobutanecarboxylic acid AMINO(2-BROMOPHENYL)ACETIC ACID 6-BROMOTETRAZOLO[1,5-A]PYRIDINE 4-Amino-2-chloro-6,7-dimethoxyquinazoline 2,3-Dimethoxypyridine 2,6-bis(bromomethyl)pyridine tert-Butyl 4-mercaptopiperidine-1-carboxylate 4'-(Methylmercapto)-acetophrnonone 1-Benzhydrylazetidin-3-ol-Hcl 1-(3-Chlorophenyl)piperazine hydrochloride Enzyme Breaker for Coal Bed Methane Slickwaterr Gas Well Guar Gum Enzyme Breaker Enzyme Breaker for Conventional Slickwater Fracturing Conventional Fracturing Guar Gum Enzyme Breaker Coalbed Methane Guar Gum Enzyme BreakerRelated products of tetrahydrofuran
You may like
-
118-97-8 4-CHLORO-3,5-DINITRO BENZOIC ACID 99%View Details
118-97-8 -
4-Chloro-3,5-dinitrobenzoic Acid CAS 118-97-8View Details
118-97-8 -
4-Chloro-3,5-dinitrobenzoic acid, 97% CAS 118-97-8View Details
118-97-8 -
4-Chloro-3,5-Dinitrobenzoic Acid118-97-8View Details
118-97-8 -
254762-66-8 AMINO(2-BROMOPHENYL)ACETIC ACID 98+View Details
254762-66-8 -
23716-23-1 98+View Details
23716-23-1 -
6-BROMOTETRAZOLO[1,5-A]PYRIDINE 98+View Details
5799-75-7 -
1778-09-2 4'-(Methylmercapto)-acetophrnonone 98%View Details
1778-09-2