CAS 23351-91-9 5-Bromoisophthalic acid - Materials / Alfa Chemistry

NAVIGATION

5-Bromoisophthalic acid

PRICE INQUIRY

Catalog Number

ACM23351919-2

CAS Number

23351-91-9

Product Name

5-Bromoisophthalic acid

Structure

Category

Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)

Synonyms

5-Bromo-1,3-benzenedicarbonicacid,5-Bromo-1,3-benzenedicarboxylicacid,5-Bromoisophthalicacid

IUPAC Name

5-bromobenzene-1,3-dicarboxylic acid

Molecular Weight

245.03

Molecular Formula

C8H5BrO4

Canonical SMILES

C1=C(C=C(C=C1C(=O)O)Br)C(=O)O

InChI

1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChI Key

JATKASGNRMGFSW-UHFFFAOYSA-N

Melting Point

270-275 °C

Flash Point

Not applicable

Purity

>98.0%(GC)(T)

Appearance

White to Almost white powder to crystal

Application

5-Bromoisophthalic acid, appearing as a white to almost white powder, serves as a crucial reactant in the synthesis of various coordination polymers and complexes. It is utilized in the preparation of manganese(II) bromoisophthalate bis(pyridyl)ethane coordination polymers, as well as nickel(II) and cobalt(II) bromoisophthalate coordination polymers. Furthermore, this compound plays a key role in creating copper bromoisophthalate bis(triazolyl)butane coordination polymers and cesium isophthalate crown ether complexes. Additionally, it is involved in the hydrothermal synthesis of zinc and cadmium bromoisophthalate polymeric complexes using dipyridyl-type coligands, highlighting its versatility in the development of advanced chemical structures.

Complexity

206

Covalently-Bonded Unit Count

EC Number

245-602-6

Exact Mass

243.93712g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD00152019

Monoisotopic Mass

243.93712g/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.

Rotatable Bond Count

Signal Word

Warning

XLogP3

1.7

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