Trimesic acid
Catalog Number
ACM554950
CAS
554-95-0
IUPAC Name
benzene-1,3,5-tricarboxylic acid
Synonyms
TrimesicAcid
BTC
BTC
Molecular Weight
210.14
Molecular Formula
C9H6O6
Product Information
Description
Trimesic acid (TMA), also known as 1,3,5-benzenetricarboxylic acid, has a self-organized 2D molecular network structure formed by intermolecular hydrogen bonds between the carboxylic acid residues in bulk crystals. TMA can be used in the synthesis of metal-organic frameworks (MOFs), which can be used as organic linkers potentially utilized in sensors.
Canonical SMILES
C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O
Inchi
1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey
QMKYBPDZANOJGF-UHFFFAOYSA-N
Melting Point
>300 °C (lit.)
Flash Point
Not applicable
Purity
>98.0%(T)
Solubility
0.13 M
Appearance
White to Light yellow powder to crystal
storage
2-8°C
Complexity
237
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
15
MDL Number
MFCD00002517
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
2053080
Rotatable Bond Count
3
Signal Word
Warning
Solubility In Water
water: ~0.017 g/L at 25 °C
Monoisotopic Mass
210.016438g/mol
Exact Mass
210.016438g/mol
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