5-Hydroxyisophthalic Acid
Catalog Number
ACM618837
CAS
618-83-7
IUPAC Name
5-hydroxybenzene-1,3-dicarboxylic acid
Molecular Weight
182.13
Molecular Formula
C8H6O5
Product Information
Canonical SMILES
C1=C(C=C(C=C1C(=O)O)O)C(=O)O
Inchi
InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey
QNVNLUSHGRBCLO-UHFFFAOYSA-N
Boiling Point
516.9 °C at 760 mmHg
Melting Point
359 °C
Purity
98%
Density
1.3293 (rough estimate)
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
203
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
13
MDL Number
MFCD00002515
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
2693561
Refractive Index
1.4330 (estimate)
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
182.021523g/mol
Exact Mass
182.021523g/mol
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