1,1,4,4-Tetraphenyl-1,3-butadiene

• Catalog Number: ACM1450631-1
• Product Name: 1,1,4,4-Tetraphenyl-1,3-butadiene
• CAS: 1450-63-1
• Category: Organic & Printed Electronics
• Synonyms: TPB
• IUPAC Name: 1,4,4-triphenylbuta-1,3-dienylbenzene
• Molecular Weight: 358.48
• Molecular Formula: C28H22
• Canonical SMILES: C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• InChI: InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
• InChI Key: KLCLIOISYBHYDZ-UHFFFAOYSA-N
• Boiling Point: 201 °C
• Melting Point: 201 °C
• Appearance: White powder
• Storage: room temp
• Assay: ≥99%
• Complexity: 412
• Condition To Avoid: Light Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 215-914-7
• Exact Mass: 358.172151g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 28
• MDL Number: MFCD00004766
• Monoisotopic Mass: 358.172151g/mol
• NSC Number: 12572
• Packaging: 5 g in glass bottle
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Quality Level: 100
• Rotatable Bond Count: 5
• Signal Word: Warning
• XLogP3: 8.6

Custom Q&A

What is the molecular formula of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The molecular formula is C28H22.

What is the molecular weight of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The molecular weight is 358.5 g/mol.

What is the IUPAC name of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The IUPAC name is 1,4,4-triphenylbuta-1,3-dienylbenzene.

What is the InChI of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The InChI is InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H.

What is the InChIKey of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The InChIKey is KLCLIOISYBHYDZ-UHFFFAOYSA-N.

What is the canonical SMILES of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The canonical SMILES is C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.

What is the CAS number of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The CAS number is 1450-63-1.

What is the XLogP3-AA value of 1,1,4,4-Tetraphenyl-1,3-butadiene?

The XLogP3-AA value is 8.6.

How many rotatable bonds does 1,1,4,4-Tetraphenyl-1,3-butadiene have?

It has 5 rotatable bonds.