| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) | [InChIKey]
VPHHJAOJUJHJKD-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(Cl)C(Cl)=C1 | [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 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 | [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 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Safety Profile]
Poison by
subcutaneous route. When heated to
decomposition it emits toxic fumes of Cl-. |
| Hazard Information | Back 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.] |
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