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517-60-2

517-60-2 Structure

517-60-2 Structure
IdentificationBack Directory
[Name]

MELLITIC ACID
[CAS]

517-60-2
[Synonyms]

Mellic acid
MELLITIC ACID
Mellitic acid,99%
Mellitic acid 99%
Hexacarboxybenzene
MELLITIC ACID 96+%
benzenehexacarbonic acid
BENZENEHEXACARBOXYLIC ACID
1,2,3,4,5,6-Benzenehexacarboxylic acid
Benzene-1,2,3,4,5,6-hexacarboxylic acid
Mellitic acid,Benzenehexacarboxylic acid
[EINECS(EC#)]

208-243-6
[Molecular Formula]

C12H6O12
[MDL Number]

MFCD00002469
[MOL File]

517-60-2.mol
[Molecular Weight]

342.17
Chemical PropertiesBack Directory
[Melting point ]

>300 °C(lit.)
[Boiling point ]

437.66°C (rough estimate)
[density ]

1.8324 (rough estimate)
[refractive index ]

1.7610 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Completely soluble in water
[form ]

powder to crystal
[pka]

pK1: 0.68;pK2: 2.21;pK3: 3.52;pK4: 5.09;pK5: 6.32; pK6: 7.49 (25°C)
[color ]

White to Light yellow
[Merck ]

14,5825
[BRN ]

2228443
[InChI]

1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
[InChIKey]

YDSWCNNOKPMOTP-UHFFFAOYSA-N
[SMILES]

OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O
Hazard InformationBack Directory
[Chemical Properties]

Beige powder
[Definition]

ChEBI: A benzene-derived hexacarboxylic acid in which each carbon of benzene carries a carboxy substituent.
[Uses]

Mellitic acid is part of a group of benzenepolycarboxylic acids that have potential anti-hemorrhagic properties. Mellitic acid is also used as a motif to investigate possible radial self-assembly using complementary aromatic bases.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29173990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

MELLITIC ACID(517-60-2)MS
MELLITIC ACID(517-60-2)1HNMR
MELLITIC ACID(517-60-2)13CNMR
MELLITIC ACID(517-60-2)IR1
MELLITIC ACID(517-60-2)IR2
MELLITIC ACID(517-60-2)Raman
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