CAS 787-70-2 4,4'-Biphenyldicarboxylic acid - Materials / Alfa Chemistry

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Major Products

MOFs and COFs Compound

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

4,4'-Biphenyldicarboxylic acid

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Catalog Number

ACM787702-4

Product Name

4,4'-Biphenyldicarboxylic acid

Structure

CAS

787-70-2

Category

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

Synonyms

Biphenyl-4,4'-dicarboxylicacid

Description

Dendrimer building block.

IUPAC Name

4-(4-carboxyphenyl)benzoic acid

Molecular Weight

242.23

Molecular Formula

C14H10O4

Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChI Key

NEQFBGHQPUXOFH-UHFFFAOYSA-N

Boiling Point

482.5±38.0 °C(Predicted)

Melting Point

283 °C (dec.)

Purity

97%

Density

1.347±0.06 g/cm3(Predicted)

Appearance

Off-white solid

Complexity

278

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Deprecated CAS

349484-13-5, 1352443-78-7

EC Number

284-111-1;212-328-3

Exact Mass

242.05790880g/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

MDL Number

MFCD00002554

MeSH Entry Terms

4,4'-biphenyldicarboxylic acid;4,4'-diphenyl dicarboxylic acid;IRMOF-10

Monoisotopic Mass

242.05790880g/mol

NSC Number

60016

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.

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

74.6Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

3.4

MSDS

Download MSDS

COA