| Identification | More | [Name]
3,5-Dimethoxybenzoic acid | [CAS]
1132-21-4 | [Synonyms]
3,5-DIMETHOXYBENZOIC ACID
AKOS 227-39
AKOS BBS-00007826
AURORA 8636
OTAVA-BB BB7013191651
RARECHEM AL BO 0044
TIMTEC-BB SBB007798
3,5-dimethoxy-benzoicaci
Benzoic acid, 3,5-dimethoxy-
3,5-Dimethoxybenzoic
2-Fluorobenzonitrile 3,5-Dimethoxybenzoic Acid | [EINECS(EC#)]
214-473-8 | [Molecular Formula]
C9H10O4 | [MDL Number]
MFCD00002502 | [Molecular Weight]
182.17 | [MOL File]
1132-21-4.mol |
| Chemical Properties | Back Directory | [Appearance]
almost white to light beige-pink cryst. powder | [Melting point ]
178-180 °C (lit.) | [Boiling point ]
275.56°C (rough estimate) | [density ]
1.2481 (rough estimate) | [refractive index ]
1.4500 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
almost transparency in hot Methanol | [form ]
Crystalline Powder | [pka]
3.96±0.10(Predicted) | [color ]
Almost white to light beige-pink | [Detection Methods]
HPLC | [BRN ]
511834 | [InChI]
1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11) | [InChIKey]
IWPZKOJSYQZABD-UHFFFAOYSA-N | [SMILES]
COc1cc(OC)cc(c1)C(O)=O | [LogP]
2.190 | [CAS DataBase Reference]
1132-21-4(CAS DataBase Reference) | [NIST Chemistry Reference]
3,5-Dimethoxybenzoic acid(1132-21-4) | [EPA Substance Registry System]
1132-21-4(EPA Substance) |
| 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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29189090 | [Storage Class]
11 - Combustible Solids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Dimethyl sulfate-->3,5-Dihydroxybenzoic acid | [Preparation Products]
Brodimoprim-->Methyl 3,5-dimethoxybenzoate-->1-Bromo-3,5-dimethoxybenzene-->5-propylbenzene-1,3-diol-->Methyl 3,5-dihydroxyphenylacetate-->3,5-DIMETHOXYBENZOYL CHLORIDE-->3,5-Dimethoxybenzyl chloride-->RVX-208-->5-(3,5-DIMETHOXYPHENYL)-1,3,4-OXADIAZOLE-2-THIOL-->3,5-DIMETHOXY-1-METHYLCYCLOHEXA-2,5-DIENECARBOXYLIC ACID |
| Hazard Information | Back Directory | [Chemical Properties]
almost white to light beige-pink cryst. powder | [Uses]
3,5-Dimethoxybenzoic acid (3,5-DmeoxBA) can be used as a reactant for the synthesis of:
- 5,7-Dimethoxy-3,4-diphenylisocoumarin by coupling with diphenylacetylene.
- Biotin dimedone, a reagent used in the study of protein sulfenation.
It can also be used as a ligand to synthesize lanthanide complexes [Ln(3,5-DmeoxBA)3(phen)]2; where phen is 1,10-phenanthroline. | [Definition]
ChEBI: 3,5-dimethoxybenzoic acid is a methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has a role as a plant metabolite. It is a conjugate acid of a 3,5-dimethoxybenzoate. | [storage]
Store at -20°C | [Purification Methods]
Crystallise the acid from water, EtOH or aqueous acetic acid and dry it in a vacuum. [Beilstein 10 H 405, 10 I 195, 10 III 1446, 10 IV 1501.] |
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