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ChemicalBook--->CAS DataBase List--->51-44-5

51-44-5

51-44-5 Structure

51-44-5 Structure
IdentificationMore
[Name]

3,4-Dichlorobenzoic acid
[CAS]

51-44-5
[Synonyms]

3,4-DCBA
3,4-DICHLOROBENZOIC ACID
RARECHEM AL BO 0329
3,4-dichloro-benzoicaci
3,4-DICHLOROBENZOIC ACID PESTANAL, 250 M
3,4-DICHLOR-BENZOESAEURE
3,4-Dichlorobenzoicacid,99%
3,4-Dichlorobenzoic acid, 98+%
3,4-Dichlorobenzoic
207-209℃
3,4-DICHLOROBENZOIC ACID pure
[EINECS(EC#)]

200-099-2
[Molecular Formula]

C7H4Cl2O2
[MDL Number]

MFCD00002492
[Molecular Weight]

191.01
[MOL File]

51-44-5.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

204-206 °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]

3.60±0.10(Predicted)
[color ]

White to Almost white
[Water Solubility ]

insoluble
[BRN ]

2044777
[InChIKey]

VPHHJAOJUJHJKD-UHFFFAOYSA-N
[CAS DataBase Reference]

51-44-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 3,4-dichloro-(51-44-5)
[EPA Substance Registry System]

51-44-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DG7175000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29163900
[Safety Profile]

Poison by subcutaneous route. When heated to decomposition it emits toxic fumes of Cl-.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Dichlorobenzoic acid(51-44-5).msds
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Uses]

3,4-Dichlorobenzoic acid was employed as internal standard during the multiresidue analysis of pharmaceuticals and personal care products by ultra performance liquid chromatography-positive/negative electrospray tandem mass spectrometry. It was used to study the metabolic fate of 4-chloro-3,5-dinitrobenzoic acid.
[Definition]

ChEBI: A chlorobenzoic acid carrying chloro substituents at positions 3 and 4.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 98, p. 843, 1976 DOI: 10.1021/ja00419a038
[Purification Methods]

Crystallise the acid from aqueous EtOH (charcoal) or acetic acid. [Beilstein 9 IV 1006.] 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]

3,4-Dichlorobenzoic acid(51-44-5)MS
3,4-Dichlorobenzoic acid(51-44-5)1HNMR
3,4-Dichlorobenzoic acid(51-44-5)IR1
3,4-Dichlorobenzoic acid(51-44-5)IR2
3,4-Dichlorobenzoic acid(51-44-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Dichlorobenzoic acid, 98+%(51-44-5)
[Alfa Aesar]

3,4-Dichlorobenzoic acid, 99%(51-44-5)
[Sigma Aldrich]

51-44-5(sigmaaldrich)
[TCI AMERICA]

3,4-Dichlorobenzoic Acid,>98.0%(GC)(T)(51-44-5)
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