1,3,5-Tris(4-carboxyphenyl)benzene , ≥97.0% , 50446-44-1

Synonym(s):
4,4′,4′′,-Benzene-1,3,5-triyl-tris(benzoic acid);H3BTB

CAS NO.：50446-44-1

Empirical Formula: C27H18O6

Molecular Weight: 438.43

MDL number: MFCD10000888

PRODUCT Properties

• Melting point: 322-327 °C
• Boiling point: 711.0±60.0 °C(Predicted)
• Density: 1.357±0.06 g/cm3(Predicted)
• storage temp.: Inert atmosphere,Room Temperature
• solubility: Soluble in tetrahydrofuran.
• form: solid
• pka: 3.46±0.10(Predicted)
• color: white to yellow
• InChI: InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
• InChIKey: SATWKVZGMWCXOJ-UHFFFAOYSA-N
• SMILES: C1(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C3=CC=C(C(O)=O)C=C3)=C2)=CC=C(C(O)=O)C=C1

Description and Uses

1,3,5-Tri(4-carboxyphenyl)benzene is used as a building block for metal organic frameworks, which is a 3D-microporous material and finds applications in gas adsorption and separation technologies.

Safety

• Symbol(GHS): GHS02,GHS07,GHS09
• Signal word: Danger
• Hazard statements: H228-H315-H319-H410
• Precautionary statements: P210-P273-P302+P352-P305+P351+P338
• Hazard Codes: F,Xn,N,Xi
• Risk Statements: 10-48/20-50/53-63-65-67-36/38
• Safety Statements: 36/37-60-61-62-26
• RIDADR: UN 3175 4.1/PG 2
• WGK Germany: 3
• HazardClass: 9
• HS Code: 29173990