4-Ethynyl-1-fluoro-2-methylbenzene

CAS
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CAS
351002-93-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM351002932

Product Name

4-Ethynyl-1-fluoro-2-methylbenzene

Structure

Structure

CAS

351002-93-2

Category

Alkynyl

Synonyms

4-Ethynyl-1-fluoro-2-methylbenzene, 351002-93-2, ACMC-20amis, 521205_ALDRICH, 4-Fluoro-3-methylphenylacetylene, 4-ethynyl-1-fluoro-2-methyl-Benzene, AKOS010651630, KB-38617, FT-0694710, A18678

IUPAC Name

4-ethynyl-1-fluoro-2-methylbenzene

Molecular Weight

134.15

Molecular Formula

C9H7F

Canonical SMILES

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

InChI Key

GSGKOWLZNQXGAI-UHFFFAOYSA-N

Boiling Point

169-170ºC(lit.)

Flash Point

100 °F

Density

1.007 g/mL at 25ºC(lit.)

Exact Mass

134.05300

Hazard Statements

H226-H315-H319-H335

H-Bond Acceptor

1

H-Bond Donor

0

RIDADR

UN 1993C 3 / PGIII

Safety Description

26-39

Symbol

GHS02

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Ethynyl-1-fluoro-2-methylbenzene?

The molecular formula is C9H7F.

What is the molecular weight of 4-Ethynyl-1-fluoro-2-methylbenzene?

The molecular weight is 134.15 g/mol.

What is the IUPAC name of 4-Ethynyl-1-fluoro-2-methylbenzene?

The IUPAC name is 4-ethynyl-1-fluoro-2-methylbenzene.

What is the InChI of 4-Ethynyl-1-fluoro-2-methylbenzene?

The InChI is InChI=1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3.

What is the InChIKey of 4-Ethynyl-1-fluoro-2-methylbenzene?

The InChIKey is GSGKOWLZNQXGAI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Ethynyl-1-fluoro-2-methylbenzene?

The canonical SMILES is CC1=C(C=CC(=C1)C#C)F.

What is the CAS number of 4-Ethynyl-1-fluoro-2-methylbenzene?

The CAS number is 351002-93-2.

What is the European Community (EC) number of 4-Ethynyl-1-fluoro-2-methylbenzene?

The European Community (EC) number is 625-006-6.

What is the DSSTox Substance ID of 4-Ethynyl-1-fluoro-2-methylbenzene?

The DSSTox Substance ID is DTXSID30584121.

Is 4-Ethynyl-1-fluoro-2-methylbenzene a canonicalized compound?

Yes, it is a canonicalized compound.

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