CAS 705-31-7 4-Ethynyl-α,α,α-trifluorotoluene

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4-Ethynyl-α,α,α-trifluorotoluene

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Catalog Number

ACM705317

CAS Number

705-31-7

Product Name

4-Ethynyl-α,α,α-trifluorotoluene

Structure

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

1-ethynyl-4-(trifluoromethyl)benzene

Molecular Weight

170.13g/mol

Molecular Formula

C9H5F3

Canonical SMILES

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

InChI

InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H

InChI Key

XTKBMZQCDBHHKY-UHFFFAOYSA-N

Complexity

188

Covalently-Bonded Unit Count

Exact Mass

170.034335g/mol

Formal Charge

Hazard Statements

H226-H315-H319-H335

Heavy Atom Count

Monoisotopic Mass

170.034335g/mol

Rotatable Bond Count

XLogP3

3.2

MSDS

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COA

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Spec Sheet

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