1,3,5-Triethynylbenzene

• CAS: 7567-63-7
• Catalog Number: ACM-MO-7567637
• Category: Alkynes; Dendrimer Building Blocks
• Molecular Weight: 150.18 g/mol
• Molecular Formula: C12H6
• Synonyms: 1,3,5-triethynylbenzene
• IUPAC Name: 1,3,5-triethynylbenzene
• Canonical SMILES: C#Cc1cc(cc(c1)C#C)C#C
• InChI: 1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H
• InChI Key: ZDRMMTYSQSIGRY-UHFFFAOYSA-N
• Boiling Point: 272.3±35.0 °C (Predicted)
• Melting Point: 105 °C
• Flash Point: 107.6 ºC
• Density: 1.05±0.1 g/cm3(Predicted)
• Appearance: White to Almost White Powder to Crystal
• Storage: Store under inert gas
• Assay: 0.97
• Condition To Avoid: Air Sensitive,Heat Sensitive
• Exact Mass: 150.04700
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• MDL Number: MFCD00068621
• Packing Group: III
• RIDADR: UN 1993C 3 / PGIII
• Safety Description: 16-26-36/37/39
• Specific Gravity: 1.05±0.1
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1,3,5-Triethynylbenzene?

The molecular formula of 1,3,5-Triethynylbenzene is C12H6.

What is the molecular weight of 1,3,5-Triethynylbenzene?

The molecular weight of 1,3,5-Triethynylbenzene is 150.18 g/mol.

What is the IUPAC name of 1,3,5-Triethynylbenzene?

The IUPAC name of 1,3,5-Triethynylbenzene is 1,3,5-triethynylbenzene.

What is the InChI of 1,3,5-Triethynylbenzene?

The InChI of 1,3,5-Triethynylbenzene is InChI=1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H.

What is the InChIKey of 1,3,5-Triethynylbenzene?

The InChIKey of 1,3,5-Triethynylbenzene is ZDRMMTYSQSIGRY-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3,5-Triethynylbenzene?

The canonical SMILES of 1,3,5-Triethynylbenzene is C#CC1=CC(=CC(=C1)C#C)C#C.

What is the CAS number of 1,3,5-Triethynylbenzene?

The CAS number of 1,3,5-Triethynylbenzene is 7567-63-7.

What is the XLogP3-AA of 1,3,5-Triethynylbenzene?

The XLogP3-AA of 1,3,5-Triethynylbenzene is 2.7.

How many rotatable bonds does 1,3,5-Triethynylbenzene have?

1,3,5-Triethynylbenzene has 3 rotatable bonds.

Is 1,3,5-Triethynylbenzene a canonicalized compound?

Yes, 1,3,5-Triethynylbenzene is a canonicalized compound.