3,5-Dichlorobenzoic acid
- Product Name
- 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
- Formula Weight
- 191.01
- MOL File
- 51-36-5.mol
3,5-Dichlorobenzoic acid Property
- 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
- pka
- 3.46±0.10(Predicted)
- form
- powder to crystal
- 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
- 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.
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D57507
- Product name
- 3,5-Dichlorobenzoic acid
- Purity
- 97%
- Packaging
- 25g
- Price
- $122
- Updated
- 2025/07/31
- Product number
- D0341
- Product name
- 3,5-Dichlorobenzoic Acid
- Purity
- >98.0%(T)
- Packaging
- 25g
- Price
- $25
- Updated
- 2025/07/31
- Product number
- D0341
- Product name
- 3,5-Dichlorobenzoic Acid
- Purity
- >98.0%(T)
- Packaging
- 500g
- Price
- $370
- Updated
- 2025/07/31
- Product number
- D436563
- Product name
- 3,5-Dichlorobenzoic Acid
- Packaging
- 100g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- A681
- Product name
- 3,5-Dichlorobenzoic Acid
- Packaging
- 100g
- Price
- $54
- Updated
- 2021/12/16
3,5-Dichlorobenzoic acid Chemical Properties,Usage,Production
Chemical Properties
White to beige powder
Physical properties
Crystals of 3,5-dichlorobenzoic acid were obtained from a water/ethanol mixture, mp186–187℃(lit. l85–187℃). Crystallization of 3,5-Dichlorobenzoic acid occurred in the monoclinic centrosymmetric space group P21/n (No. 14) with a = 3.7812(3), b = 13.996(2), and c = 14.514(2) Å, β = 95.183(8); and Z = 4. Chlorine substituents of four dimeric molecules of 3,5-Dichlorobenzoic acid formed square channels, ca. 3.54 Å on a side, which run parallel to the crystallographic a axis.
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.
Application
3,5-Dichlorobenzoic acid can be used as a pharmaceutical intermediate compound. Novel cyclopentquinoline and 3,5-dichlorobenzoic acid complexes possess antioxidant and neuroprotective effects, which can be used for the treatment of Alzheimer's disease. In addition, 3,5-Dichlorobenzoic acid has a stimulatory effect on skeletal muscle and can be used in the preparation of benzodiazepine derivatives for treating arrhythmias.
Synthesis Reference(s)
Journal of the American Chemical Society, 73, p. 455, 1951 DOI: 10.1021/ja01145a145
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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View Lastest Price from 3,5-Dichlorobenzoic acid manufacturers
- Product
- 3,5-Dichlorobenzoic acid 51-36-5
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 100tons
- Release date
- 2025-11-19
- Product
- 3,5-Dichlorobenzoic acid 51-36-5
- Price
- US $10.00/ASSAYS
- Min. Order
- 1ASSAYS
- Purity
- 99%
- Supply Ability
- 1 ton
- Release date
- 2025-08-21
- Product
- 3,5-Dichlorobenzoic acid 51-36-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10000KGS
- Release date
- 2025-05-12