CAS 10602-00-3 4-Ethynylbenzoic Acid - Materials / Alfa Chemistry

NAVIGATION

4-Ethynylbenzoic Acid

PRICE INQUIRY

Catalog Number

ACM10602003-1

CAS Number

10602-00-3

Product Name

4-Ethynylbenzoic Acid

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

4-ethynylbenzoic acid

Molecular Weight

146.14

Molecular Formula

C9H6O2

Canonical SMILES

C#CC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)

InChI Key

SJXHLZCPDZPBPW-UHFFFAOYSA-N

Melting Point

192 °C

Purity

98%

Density

Air Sensitive

Appearance

Light yellow to Amber to Dark green powder to crystal

Application

4-Ethynylbenzoic acid serves as a versatile reagent in various chemical syntheses and applications. It plays a crucial role in the production of N-(4-ethynylphenylcarbonyl) L-glutamic acid diethyl ester, which is a key precursor for creating dendritic helical poly(phenylacetylene)s based on glutamic acid. Additionally, this compound is instrumental in the preparation of zinc porphyrins with diverse cyclic aromatic hydrocarbon substituents. These zinc porphyrins hold promise as photo-sensitizers in dye-sensitized solar cells (DSSCs), contributing to advancements in solar energy technology. Formerly known under the identifier CBR01612, 4-Ethynylbenzoic acid is integral to innovative research and development in both materials science and renewable energy sectors.

Storage

Store under inert gas

Complexity

191

Covalently-Bonded Unit Count

Exact Mass

146.036779g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD00168819

Monoisotopic Mass

146.036779g/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

2.2

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