2,5-Dihydroxyterephthalic acid
Catalog Number
ACM610924-2
CAS
610-92-4
IUPAC Name
2,5-dihydroxyterephthalic acid
Synonyms
2,5-Dioxido-1,4-benzenedicarboxylate
Molecular Weight
198.13
Molecular Formula
C8H6O6
Product Information
Description
2,5-dihydroxyterephthalic acid (DHTA)is prepared by bromine/sulphuric acid mediated aromatization of diethyl succinoylsucinate, followed by hydrolysis.
Canonical SMILES
C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
Inchi
1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey
OYFRNYNHAZOYNF-UHFFFAOYSA-N
Boiling Point
>300 °C-lit.
Melting Point
>300 °C-lit.
Purity
97%
Appearance
Yellow green solid
storage
Store under inert gas
Complexity
224
Condition To Avoid
Air Sensitive
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
4
MDL Number
MFCD00132933
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
2696052
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
198.01643791g/mol
Topological Polar Surface Area
115Ų
Exact Mass
198.01643791g/mol
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