Benzenemethanol,a-ethynyl-a-(trifluoromethyl)-

CAS

99727-20-5

Catalog Number

ACM99727205

Category

Other Products

Molecular Weight

200.16

Molecular Formula

C₁₀H₇F₃O

MSDS COA Spec Sheet

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Specification

Synonyms

ZINC04270000, 99727-20-5

IUPAC Name

(2S)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol

Canonical SMILES

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

InChI Key

WWIJKFJKIOQDKI-VIFPVBQESA-N

Boiling Point

228ºC at 760mmHg

Flash Point

98.6ºC

Density

1.301g/cm³

Appearance

clear brown liquid

Exact Mass

200.04500

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

37/39-26

WGK Germany

What is the molecular formula of Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

The molecular formula of Benzenemethanol,a-ethynyl-a-(trifluoromethyl) is C10H7F3O.

When was the structure of Benzenemethanol,a-ethynyl-a-(trifluoromethyl) created and modified?

The structure was created on July 19, 2005, and modified on December 30, 2023.

What is the IUPAC Name of Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

The IUPAC Name is 1,1,1-trifluoro-2-phenylbut-3-yn-2-ol.

What is the InChIKey of Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

The InChIKey is WWIJKFJKIOQDKI-UHFFFAOYSA-N.

What is the Canonical SMILES of Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

The Canonical SMILES is C#CC(C1=CC=CC=C1)(C(F)(F)F)O.

What is the Molecular Weight of Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

The Molecular Weight is 200.16 g/mol.

How many Hydrogen Bond Donor Count does Benzenemethanol,a-ethynyl-a-(trifluoromethyl) have?

It has 1 Hydrogen Bond Donor Count.

What is the Topological Polar Surface Area of Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

The Topological Polar Surface Area is 20.2 ?2.

Does Benzenemethanol,a-ethynyl-a-(trifluoromethyl) have any Defined Atom Stereocenter Count?

No, it does not have any Defined Atom Stereocenter Count.

Is the Compound Is Canonicalized for Benzenemethanol,a-ethynyl-a-(trifluoromethyl)?

Yes, the Compound Is Canonicalized for Benzenemethanol,a-ethynyl-a-(trifluoromethyl).