CAS 528543-96-6 1,3,5-Tri(1H-imidazol-1-yl)benzene

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MOFs and COFs Compound

Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand

1,3,5-Tri(1H-imidazol-1-yl)benzene

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Catalog Number

ACM528543966-2

Product Name

1,3,5-Tri(1H-imidazol-1-yl)benzene

CAS

528543-96-6

Category

Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand

Synonyms

1,1',1''-Benzene-1,3,5-triyltri(1H-imidazole)

IUPAC Name

1-[3,5-di(imidazol-1-yl)phenyl]imidazole

Molecular Weight

276.30

Molecular Formula

C15H12N6

InChI

InChI=1S/C15H12N6/c1-4-19(10-16-1)13-7-14(20-5-2-17-11-20)9-15(8-13)21-6-3-18-12-21/h1-12H

InChI Key

QAPWMCQWTGBLSM-UHFFFAOYSA-N

Boiling Point

303 °C

Melting Point

303 °C

Purity

98%

Appearance

White solid

Storage

Store under inert gas

Complexity

287

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

276.11234441g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Length

0.5-2um

MDL Number

MFCD23103303

Monoisotopic Mass

276.11234441g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.62

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.16

SSA

>60 m2/g

Topological Polar Surface Area

53.5Å²

Undefined Atom Stereocenter Count