| Identification | More | [Name]
3,5-Dichlorobenzoic acid | [CAS]
51-36-5 | [Synonyms]
3,5-DICHLOROBENZOIC ACID
BENZOIC ACID, 3,5-DICHLORO-
BUTTPARK 45\07-34
RARECHEM AL BO 0040
3,5-dichlorobenzoic
3,5-dichloro-benzoicaci
3,5-DICHLOROBENZOIC ACID, 1X1ML,MTBE 100 0UG/ML
3,5-DICHLOROBENZOIC ACID, 1GM, NEAT
3,5-Dichlorobenzoicacid,99%
3,5-dichlorobenzoic acid solution
3,5-DICHLOROBENZIC ACID
BIS(TRICHORO METHYL)CARBONATE | [EINECS(EC#)]
200-092-4 | [Molecular Formula]
C7H4Cl2O2 | [MDL Number]
MFCD00002494 | [Molecular Weight]
191.01 | [MOL File]
51-36-5.mol |
| Chemical Properties | Back Directory | [Appearance]
White to beige powder | [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. ]
2-8°C | [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]
51-36-5(EPA Substance) |
| Safety Data | Back Directory | [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,Xn,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking . | [WGK Germany ]
3
| [RTECS ]
DG7350000
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Toxicity]
mouse,LD50,intraperitoneal,237mg/kg (237mg/kg),BEHAVIORAL: REGIDITYBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968. |
| Hazard Information | Back Directory | [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 a useful reactant in organic synthesis. | [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. | [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. | [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.] |
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