ChemicalBook--->CAS DataBase List--->528-44-9

528-44-9

528-44-9 Structure

528-44-9 Structure
IdentificationMore
[Name]

1,2,4-Benzenetricarboxylic acid
[CAS]

528-44-9
[Synonyms]

1,2,4-BENZENETRICARBOXYLIC ACID
BENZENE-1,2,4-TRICARBOXYLIC ACID
TRIMELLITIC ACID
1,2,4-Tricarboxybenzene
1,3,4-Benzenetricarboxylic acid
1,3,4-benzenetricarboxylicacid
1,4,5-Benzenetricarboxylic acid
1,4,5-benzenetricarboxylicacid
4-carboxyphthalicacid
1,2,4-BENZENETRICARBOXYLIC ACID, 99+%
BENZENETRICARBOXYLICACID
1,2,4-BENZENETRICARBOXYLIC ACID/TRIMELLITIC ACID
Benyop-1,2,4-Tricarboxybenzene
Benzene-1,2,4-tricarboxylic acid, Trimellitic acid
[EINECS(EC#)]

208-432-3
[Molecular Formula]

C9H6O6
[MDL Number]

MFCD00002470
[Molecular Weight]

210.14
[MOL File]

528-44-9.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless crystals.Partially soluble in DMF and alcohol; insoluble in benzene and carbon disulfide; slightly soluble in water.
[Melting point ]

229-231 °C (dec.) (lit.)
[Boiling point ]

309.65°C (rough estimate)
[density ]

1.4844 (rough estimate)
[refractive index ]

1.6630 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

2.1g/l
[form ]

Crystalline Powder
[pka]

pK1: 2.52;pK2: 3.84;pK3: 5.20 (25°C)
[color ]

White
[Water Solubility ]

2.1 G/100 ML (25 ºC)
[Merck ]

14,9702
[BRN ]

2214815
[InChI]

1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
[InChIKey]

ARCGXLSVLAOJQL-UHFFFAOYSA-N
[SMILES]

OC(C1=C(C(O)=O)C=C(C(O)=O)C=C1)=O
[LogP]

1.240 (est)
[CAS DataBase Reference]

528-44-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2,4-Benzenetricarboxylic acid(528-44-9)
[EPA Substance Registry System]

528-44-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

DC1980000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29173990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Sulfuric acid-->Toluene-->Sodium nitrite-->Stannous chloride dihydrate-->Copper(I) Cyanide-->1,2,4-Trimethylbenzene-->4-Nitrophthalic acid
[Preparation Products]

epoxy resin liquid crystal-->1,3-Dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid-->Isophthalic acid
Hazard InformationBack Directory
[Chemical Properties]

Colorless crystals.Partially soluble in DMF and alcohol; insoluble in benzene and carbon disulfide; slightly soluble in water.
[Uses]

1,2,4-Benzenetricarboxylic acid (trimellitic acid) is generally used as carboxylate ligand in the synthesis of a wide range of metal-organic frameworks (MOFs). It can also be used to synthesize Ln3+ encapsulated nanocrystals which exhibit white-light luminescence.
[Uses]

Intermediate in the preparation of resins, plasticizers, dyes, inks, adhesives.
[Definition]

ChEBI: Benzene substituted at the 1,2, and 4 positions by carboxy groups.
[Purification Methods]

Crystallise the acid from acetic acid or aqueous EtOH. [Beilstein 9 IV 3746.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,2,4-Benzenetricarboxylic acid(528-44-9)MS
1,2,4-Benzenetricarboxylic acid(528-44-9)1HNMR
1,2,4-Benzenetricarboxylic acid(528-44-9)13CNMR
1,2,4-Benzenetricarboxylic acid(528-44-9)IR1
1,2,4-Benzenetricarboxylic acid(528-44-9)IR2
1,2,4-Benzenetricarboxylic acid(528-44-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,2,4-Benzenetricarboxylic acid, 99+%(528-44-9)
[Alfa Aesar]

1,2,4-Benzenetricarboxylic acid, 98%(528-44-9)
[Sigma Aldrich]

528-44-9(sigmaaldrich)
[TCI AMERICA]

Trimellitic Acid,>98.0%(LC)(T)(528-44-9)
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