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ChemicalBook--->CAS DataBase List--->51-36-5

51-36-5

51-36-5 Structure

51-36-5 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[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
[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.
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Dicamba-->3-Chlorobenzoic acid-->2-Amino-5-chloro-3-methylbenzoic acid-->(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid-->1,3-DICHLORO-5-(CHLOROMETHYL)BENZENE-->3',5'-Dichloroacetophenone-->3,5-DICHLORO-4'-FLUOROBENZOPHENONE-->3,5-dichloro-N-Methoxy-N-MethylbenzaMide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dichlorobenzoic acid(51-36-5).msds
Hazard InformationBack Directory
[Chemical Properties]

White to beige powder
[Uses]

3,5-Dichlorobenzoic Acid is a useful reactant in organic synthesis.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dichlorobenzoic acid(51-36-5)MS
3,5-Dichlorobenzoic acid(51-36-5)1HNMR
3,5-Dichlorobenzoic acid(51-36-5)IR1
3,5-Dichlorobenzoic acid(51-36-5)IR2
3,5-Dichlorobenzoic acid(51-36-5)IR3
3,5-Dichlorobenzoic acid(51-36-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dichlorobenzoic acid, 99%(51-36-5)
[Alfa Aesar]

3,5-Dichlorobenzoic acid, 99%(51-36-5)
[Sigma Aldrich]

51-36-5(sigmaaldrich)
[TCI AMERICA]

3,5-Dichlorobenzoic Acid,>98.0%(T)(51-36-5)
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