CAS 5748-42-5 4-(4-tert-Butylphenyl)benzoic Acid

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4-(4-tert-Butylphenyl)benzoic Acid

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Catalog Number

ACM5748425-1

Product Name

4-(4-tert-Butylphenyl)benzoic Acid

Structure

CAS

5748-42-5

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-tert-Butylbiphenyl-4'-carboxylic Acid

IUPAC Name

4-(4-tert-butylphenyl)benzoic acid

Molecular Weight

254.33

Molecular Formula

C17H18O2

Canonical SMILES

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

InChI

InChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)

InChI Key

HZIOPONJCVOCFE-UHFFFAOYSA-N

Purity

>98.0%(GC)(T)

Appearance

White to Orange to Green powder to crystal

Complexity

300

Covalently-Bonded Unit Count

Exact Mass

254.13068g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD01631300

Monoisotopic Mass

254.13068g/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

5.5

MSDS

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COA

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Spec Sheet

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