| Identification | More | [Name]
3-CHLORO-4-HYDROXYBENZOIC ACID | [CAS]
3964-58-7 | [Synonyms]
3-CHLORO-4-HYDROXYBENZOIC ACID
RARECHEM AL BO 2160
TIMTEC-BB SBB008420
Benzoic acid, 3-chloro-4-hydroxy-
3-chloro-4-hydroxybenzoate
3-CHLORO-4-HYDROXYBENZOIC ACID , MAY CONTAIN UP TO CA 6% WATER
3-Chloro-4-hydroxy
3-CHLORO-4-HYDROXYBENZOIC ACID 97%, MAY CONTAIN UP TO CA 6% WATER
3-CHLORO-4-HYDROXYBENZOIC ACID HEMIHYDRATE 98% | [EINECS(EC#)]
223-574-6 | [Molecular Formula]
C7H5ClO3 | [MDL Number]
MFCD00002549 | [Molecular Weight]
172.57 | [MOL File]
3964-58-7.mol |
| Chemical Properties | Back Directory | [Appearance]
VERY SLIGHTLY BEIGE FLUFFY POWDER | [Melting point ]
171-173 °C(lit.) | [Boiling point ]
331℃ | [density ]
1.536 | [refractive index ]
1.4580 (estimate) | [Fp ]
154℃ | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
4.20±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
2207866 | [InChI]
1S/2C7H5ClO3.H2O/c2*8-5-3-4(7(10)11)1-2-6(5)9;/h2*1-3,9H,(H,10,11);1H2 | [InChIKey]
VXRQGICSNYPXAC-UHFFFAOYSA-N | [SMILES]
O.OC(=O)c1ccc(O)c(Cl)c1.OC(=O)c2ccc(O)c(Cl)c2 | [CAS DataBase Reference]
3964-58-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [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 . | [WGK Germany ]
3
| [HS Code ]
29182900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
VERY SLIGHTLY BEIGE FLUFFY POWDER | [Uses]
3-Chloro-4-hydroxybenzoic acid serves as a precursor for the ambigol building block 2,4-dichlorophenol[1]. | [Synthesis]
3-Chloro-4-hydroxybenzoic acid is produced starting from chorismate via 4-hydroxybenzoic acid, 4-hydroxybenzoyl-CoA, and 3-chloro-4-hydroxybenzoyl-SNAC through the action of Ab enzymes including the Ab9 release domains[1]. | [References]
[1]Kresna, I. D. M., Linares-Otoya, L., Milzarek, T., Duell, E. R., Mohseni, M. M., Mettal, U., König, G. M., Gulder, T. A. M., & Schäberle, T. F. (2021). In vitro characterization of 3-chloro-4-hydroxybenzoic acid building block formation in ambigol biosynthesis. Organic & Biomolecular Chemistry, 19(10), 2302–2311. https://doi.org/10.1039/d0ob02372h
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