51520
1,2,3-Benzenetricarboxylic acid hydrate
≥98.0% (calc. based on dry substance, T)
Synonym(s):
Hemimellitic acid hydrate
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About This Item
Empirical Formula (Hill Notation):
C9H6O6 · xH2O
CAS Number:
Molecular Weight:
210.14 (anhydrous basis)
Beilstein:
2214816
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
≥98.0% (calc. based on dry substance, T)
form
solid
mp
~195 °C (dec.)
functional group
carboxylic acid
SMILES string
OC(=O)c1cccc(C(O)=O)c1C(O)=O
InChI
1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI key
UJMDYLWCYJJYMO-UHFFFAOYSA-N
Analysis Note
may contain up to 2 mol water
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Crystal structure of hemimellitic acid dihydrate (1, 2, 3-benzenetricarboxylic acid dihydrate).
Mo F and Adman E.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 31(1), 192-198 (1975)
Derivatives of Hemimellitic Acid. A Synthesis of Erythrocentaurin1.
Wenkert E, et al.
The Journal of Organic Chemistry, 29(9), 2534-2542 (1964)
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