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Merck
CN

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:
732304-21-1
Molecular Weight:
210.14 (anhydrous basis)
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57651327
MDL number:
MFCD00002468
Beilstein/REAXYS Number:
2214816
Assay:
≥98.0% (calc. based on dry substance, T)
Form:
solid

Key Documents

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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)

SMILES string

OC(=O)c1cccc(C(O)=O)c1C(O)=O

InChI key

UJMDYLWCYJJYMO-UHFFFAOYSA-N

assay

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

form

solid

mp

~195 °C (dec.)

functional group

carboxylic acid

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Analysis Note

may contain up to 2 mol water

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
385847/1
1079287
377411/1
367789/1
362239/1

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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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