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2-Hydroxyterephthalic Acid

Catalog Number
ACM636942-2
CAS Number
636-94-2
Product Name
2-Hydroxyterephthalic Acid
Structure
Category
Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)
Synonyms
H2BDC-OH
IUPAC Name
2-hydroxyterephthalic acid
Molecular Weight
182.13
Molecular Formula
C8H6O5
Canonical SMILES
C1=CC(=C(C=C1C(=O)O)O)C(=O)O
InChI
1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChI Key
CDOWNLMZVKJRSC-UHFFFAOYSA-N
Boiling Point
436.93 °C at 760 mmHg (Predicted)
Melting Point
312-317 °C
Purity
97%
Appearance
Crystalline
Storage
Store under inert gas, 2-8℃
Complexity
225
Covalently-Bonded Unit Count
1
Exact Mass
182.021523g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
13
MDL Number
MFCD09835368
MeSH Entry Terms
2-hydroxy-1,4-benzenedicarboxylic acid;2-hydroxyterephthalate;2-hydroxyterephthalic acid
Monoisotopic Mass
182.021523g/mol
NSC Number
109098
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.
Refractive Index
1.67 (Predicted)
Rotatable Bond Count
2
Signal Word
Warning
XLogP3
1.5
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