3,5-Dichlorobenzoic acid
- CAS No.
- 51-36-5
- Chemical Name:
- 3,5-Dichlorobenzoic acid
- Synonyms
- 3,5-dichlorobenzoic;3.5-Dichlorobe;BUTTPARK 45\07-34;RARECHEM AL BO 0040;3,5-DICHLOROBENZIC ACID;3,5-dichloro-benzoicaci;3,5-Dichlorbenzoesaeure;3,5-DICHLOROBENZOIC ACID;BENZOIC ACID, 3,5-DICHLORO-;3,5-Dichlorobenzoicacid,99%
- CBNumber:
- CB3760057
- Molecular Formula:
- C7H4Cl2O2
- Molecular Weight:
- 191.01
- MOL File:
- 51-36-5.mol
- Modify Date:
- 2023/6/29 17:43:46
| Melting point | 184-187 °C (lit.) |
|---|---|
| Boiling point | 273.68°C (rough estimate) |
| Density | 1.4410 (rough estimate) |
| refractive index | 1.4590 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.46±0.10(Predicted) |
| color | White to Almost white |
| Water Solubility | 147.1mg/L(temperature not stated) |
| BRN | 2044776 |
| InChI | InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
| InChIKey | CXKCZFDUOYMOOP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(Cl)=CC(Cl)=C1 |
| CAS DataBase Reference | 51-36-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,5-Dichlorobenzoic acid(51-36-5) |
| EPA Substance Registry System | 3,5-Dichlorobenzoic acid (51-36-5) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DG7350000 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| Toxicity | mouse,LD50,intraperitoneal,237mg/kg (237mg/kg),BEHAVIORAL: REGIDITYBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968. | |||||||||
| NFPA 704 |
|
3,5-Dichlorobenzoic acid price More Price(6)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | D57507 | 3,5-Dichlorobenzoic acid 97% | 51-36-5 | 25G | ₹8616.7 | 2022-06-14 | Buy |
| ALFA India | ALF-A15168-22 | 3,5-Dichlorobenzoic acid, 99% | 51-36-5 | 100g | ₹9293 | 2022-05-26 | Buy |
| TCI Chemicals (India) | D0341 | 3,5-Dichlorobenzoic Acid min. 97.0 % | 51-36-5 | 25G | ₹4700 | 2022-05-26 | Buy |
| TCI Chemicals (India) | D0341 | 3,5-Dichlorobenzoic Acid min. 97.0 % | 51-36-5 | 500G | ₹31800 | 2022-05-26 | Buy |
| ALFA India | ALF-A15168-14 | 3,5-Dichlorobenzoic acid, 99% | 51-36-5 | 25g | ₹4300 | 2022-05-26 | Buy |
3,5-Dichlorobenzoic acid Chemical Properties,Uses,Production
Chemical Properties
White to beige powder
Uses
3,5-Dichlorobenzoic acid is used in organic synthesis and pesticide and pharmaceutical intermediates. It can be used to synthesize 3,5-Dichloro-N-(4-hydroxyphenethyl)benzamide and (3,5-Dichlorophenyl)-(4-fluorophenyl)methanone.
Definition
ChEBI: 3,5-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups. It has a role as a herbicide and a metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It derives from a benzoic acid. It is a conjugate acid of a 3,5-dichlorobenzoate.
Preparation
Synthesis of 3,5-dichlorobenzoic acid: 200 parts of ethanol is slowly added to a solution, heated to 70°C, of the diazonium salt prepared as described in Example 1 from 412 parts of 3,5-dichloroanthranilic acid; elimination of nitrogen immediately takes place with evolution of heat. The mixture is stirred for another 15 minutes and 350 parts (92% of theory) of 3,5-dichlorobenzoic acid having a melting point of 176° to 178°C is isolated as described in Example 1.
Purification Methods
Crystallise the acid from EtOH and sublime it in a vacuum. [Beilstein 9 IV 1008.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008.]
3,5-Dichlorobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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