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636-44-2

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636-44-2 Structure

636-44-2 Structure
IdentificationMore
[Name]

2,5-DIMETHYL-3-FUROIC ACID
[CAS]

636-44-2
[Synonyms]

2,5-DIMETHYL-3-FURANCARBOXYLIC ACID
2,5-DIMETHYL-3-FUROIC ACID
2,5-DIMETHYLFURAN-3-CARBOXYLIC ACID
TIMTEC-BB SBB004165
pyrotritaric acid
2,5-DIMETHYL-3-FUORIC ACID
[EINECS(EC#)]

211-257-5
[Molecular Formula]

C7H8O3
[MDL Number]

MFCD00082181
[Molecular Weight]

140.14
[MOL File]

636-44-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to faint yellow crystalline powder
[Melting point ]

137-140 °C (lit.)
[Boiling point ]

240.6±35.0 °C(Predicted)
[density ]

1.194±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

powder to crystaline
[pka]

4.56±0.26(Predicted)
[color ]

White to Orange to Green
[InChI]

InChI=1S/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)
[InChIKey]

CNTHHNPBADVTRY-UHFFFAOYSA-N
[SMILES]

O1C(C)=CC(C(O)=O)=C1C
[CAS DataBase Reference]

636-44-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3261
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29321900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Acetic anhydride-->Potassium iodide-->Iodine-->Tin tetrachloride-->2,5-Dimethylfuran-->3-BROMO-5-CARBETHOXY-4,6-DIMETHYL-2-PYRONE-->METHYL 2,5-DIMETHYL-3-FUROATE-->ETHYL 2,5-DIMETHYL-3-FUROATE-->ETHYL 2-ACETYL-4-OXOPENTANOATE-->3-ACETYL-2,5-DIMETHYLFURAN-->Sodium acetate-->Ethyl acetoacetate-->Ethanol-->Pyruvic acid
Hazard InformationBack Directory
[Chemical Properties]

white to faint yellow crystalline powder
[Uses]

2,5-Dimethyl-3-furoic acid may be used as carboxylato ligand in the preparation of the following titanocene complexes:
  • [Ti(η5-C5H5)2(OOC-dmf)2]
  • [Ti(η5-C5H4Me)2(OOC-dmf)2]
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-DIMETHYL-3-FUROIC ACID(636-44-2)FT-IR
2,5-DIMETHYL-3-FUROIC ACID(636-44-2)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethyl-3-furoic acid, 98%(636-44-2)
[Sigma Aldrich]

636-44-2(sigmaaldrich)
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