| Identification | More | [Name]
2,5-Dimethoxybenzoic acid | [CAS]
2785-98-0 | [Synonyms]
2,5-DIMETHOXYBENZOIC ACID
GENTISIC ACID DIMETHYL ETHER
RARECHEM AL BO 0325
2,5-Dimethoxybenzoic
2,5-DIMETHHOXYBENZOICACID
2,5-DIMETHOXYBENZOIC ACID, 98+% | [EINECS(EC#)]
220-503-0 | [Molecular Formula]
C9H10O4 | [MDL Number]
MFCD00002436 | [Molecular Weight]
182.17 | [MOL File]
2785-98-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white fine crystalline powder | [Melting point ]
76-78 °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 | [form ]
powder to crystal | [pka]
3.97±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
2097993 | [InChI]
InChI=1S/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11) | [InChIKey]
NYJBTJMNTNCTCP-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(OC)=CC=C1OC | [LogP]
1.281 (est) | [CAS DataBase Reference]
2785-98-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 2,5-dimethoxy-(2785-98-0) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [HS Code ]
29189900 |
| Hazard Information | Back Directory | [Chemical Properties]
white fine crystalline powder | [Uses]
2,5-Dimethoxybenzoic acid has been used in synthesis of:
- galbulimima alkaloid GB 13
- 3,4-dihydrofluoren-2(1H)-ones via reductive alkylation
| [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 20, p. 414, 1977 DOI: 10.1021/jm00213a020 |
|
|