4-Ethynyl-1-fluoro-2-methylbenzene

• CAS: 351002-93-2
• Catalog Number: ACM351002932
• Category: Alkynyl
• Molecular Weight: 134.15
• Molecular Formula: C9H7F
• 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
• 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

Custom Q&A

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.