3-Phenyl-2-propynenitrile

• Catalog Number: ACM935024
• Product Name: 3-Phenyl-2-propynenitrile
• CAS: 935-02-4
• Category: Heterocyclic Organic Compound
• Synonyms: Cyanophenylacetylene, Phenylpropynenitrile, Phenylpropiolonitrile, Propiolonitrile, phenyl-, Phenylpropiolique nitrile, 3-phenyl-2-propynenitrile, 2-Propynenitrile, 3-phenyl-, NCIOpen2_000538, Phenylpropiolique nitrile [French], NSC71547, MolPort-001-785-471, NSC 71547, CID96382, BRN 0386022, AI3-11802, LS-123967, 4-09-00-02329 (Beilstein Handbook Reference), 935-02-4
• IUPAC Name: 3-phenylprop-2-ynenitrile
• Molecular Weight: 127.14
• Molecular Formula: C9H5N
• Canonical SMILES: C1=CC=C(C=C1)C#CC#N
• InChI Key: IYXVSRXFGYDNEV-UHFFFAOYSA-N
• Boiling Point: 215.8ºC at 760mmHg
• Flash Point: 87.6ºC
• Density: 1.09g/cm³
• Exact Mass: 127.04200
• Hazard Statements: H225
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 3-Phenyl-2-propynenitrile?

The molecular formula of 3-Phenyl-2-propynenitrile is C9H5N.

What is the molecular weight of 3-Phenyl-2-propynenitrile?

The molecular weight of 3-Phenyl-2-propynenitrile is 127.14 g/mol.

When was 3-Phenyl-2-propynenitrile created in PubChem?

3-Phenyl-2-propynenitrile was created in PubChem on March 26, 2005.

What is the IUPAC Name of 3-Phenyl-2-propynenitrile?

The IUPAC Name of 3-Phenyl-2-propynenitrile is 3-phenylprop-2-ynenitrile.

What is the InChI of 3-Phenyl-2-propynenitrile?

The InChI of 3-Phenyl-2-propynenitrile is InChI=1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H.

What is the InChIKey of 3-Phenyl-2-propynenitrile?

The InChIKey of 3-Phenyl-2-propynenitrile is IYXVSRXFGYDNEV-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Phenyl-2-propynenitrile?

The canonical SMILES representation of 3-Phenyl-2-propynenitrile is C1=CC=C(C=C1)C#CC#N.

What is the CAS number of 3-Phenyl-2-propynenitrile?

The CAS number of 3-Phenyl-2-propynenitrile is 935-02-4.

What is the XLogP3-AA value of 3-Phenyl-2-propynenitrile?

The XLogP3-AA value of 3-Phenyl-2-propynenitrile is 2.2.

Is 3-Phenyl-2-propynenitrile a canonicalized compound in PubChem?

Yes, 3-Phenyl-2-propynenitrile is a canonicalized compound in PubChem.