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51520

Sigma-Aldrich

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

Assay

≥98.0% (calc. based on dry substance, T)

form

solid

mp

~195 °C (dec.)

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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Derivatives of Hemimellitic Acid. A Synthesis of Erythrocentaurin1.
Wenkert E, et al.
The Journal of Organic Chemistry, 29(9), 2534-2542 (1964)
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)

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