5-Methoxyisophthalic Acid
Catalog Number
ACM46331504
CAS
46331-50-4
IUPAC Name
5-methoxybenzene-1,3-dicarboxylic acid
Molecular Weight
196.16
Molecular Formula
C9H8O5
Product Information
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)O)C(=O)O
Inchi
InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
POSMIIJADZKUPL-UHFFFAOYSA-N
Boiling Point
440.8 °C at 760 mmHg
Melting Point
270 °C
Purity
97%
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
215
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
14
MDL Number
MFCD00272364
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
2645627
Rotatable Bond Count
3
Signal Word
Warning
Monoisotopic Mass
196.037173g/mol
Exact Mass
196.037173g/mol
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