ChemicalBook--->CAS DataBase List--->2785-98-0

2785-98-0

2785-98-0 Structure

2785-98-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dimethoxybenzoic acid(2785-98-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethoxybenzoic acid, 98%(2785-98-0)
[Alfa Aesar]

2,5-Dimethoxybenzoic acid, 98+%(2785-98-0)
[Sigma Aldrich]

2785-98-0(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethoxybenzoic Acid,>98.0%(GC)(T)(2785-98-0)
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