1-Chloro-4-(phenylethynyl)benzene

• CAS: 5172-02-1
• Catalog Number: ACM5172021
• Category: Ortho Esters
• Molecular Weight: 212.67
• Molecular Formula: C₁₀H₂₀O₂
• Synonyms: Ambkt4166, 510750_ALDRICH, MolPort-003-935-452, NSC407575, 1-Chloro-4-(phenylethynyl)benzene, CID348309, 5172-02-1, InChI=1/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11
• IUPAC Name: 1-chloro-4-(2-phenylethynyl)benzene
• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl
• InChI Key: YMZAAGCDWVIPNL-UHFFFAOYSA-N
• Boiling Point: 327ºC at 760mmHg
• Melting Point: 81-83ºC(lit.)
• Flash Point: 146.4ºC
• Density: 1.19g/cm³
• Exact Mass: 212.03900
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-Chloro-4-(phenylethynyl)benzene?

The molecular formula is C14H9Cl.

What is the molecular weight of 1-Chloro-4-(phenylethynyl)benzene?

The molecular weight is 212.67 g/mol.

What is the IUPAC Name of 1-Chloro-4-(phenylethynyl)benzene?

The IUPAC Name is 1-chloro-4-(2-phenylethynyl)benzene.

What is the InChI of 1-Chloro-4-(phenylethynyl)benzene?

The InChI is InChI=1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H.

What is the InChIKey of 1-Chloro-4-(phenylethynyl)benzene?

The InChIKey is YMZAAGCDWVIPNL-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Chloro-4-(phenylethynyl)benzene?

The Canonical SMILES is C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl.

What is the CAS number of 1-Chloro-4-(phenylethynyl)benzene?

The CAS number is 5172-02-1.

What is the European Community (EC) Number of 1-Chloro-4-(phenylethynyl)benzene?

The European Community (EC) Number is 624-096-4.

What is the DSSTox Substance ID of 1-Chloro-4-(phenylethynyl)benzene?

The DSSTox Substance ID is DTXSID90324707.

What is the XLogP3 value of 1-Chloro-4-(phenylethynyl)benzene?

The XLogP3 value is 5.4.