1,3,6,8-Tetrabromopyrene

• CAS: 128-63-2
• Catalog Number: ACM128632-1
• Category: Aryl
• Molecular Weight: 517.80
• Molecular Formula: C16H6Br4
• Synonyms: Pyrene, 1,3,6,8-tetrabromo-
• IUPAC Name: 1,3,6,8-tetrabromopyrene
• Canonical SMILES: Brc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c34
• InChI: 1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
• InChI Key: ZKBKRTZIYOKNRG-UHFFFAOYSA-N
• Boiling Point: 416-420 °C
• Melting Point: 416-420 °C
• Flash Point: 273.9 ºC
• Density: 2.284g/cm³
• Appearance: Pale yellow powder
• Application: Synthetic building block for the creation of blue to green OLED emitters
• Storage: room temp
• Assay: 0.97
• EC Number: 204-900-6
• Exact Mass: 513.72000
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• MDL Number: MFCD00428682
• 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
• RIDADR: UN 3152PSN2 9 / PGII
• Safety Description: 26
• Signal Word: Warning
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1,3,6,8-Tetrabromopyrene?

The molecular formula of 1,3,6,8-Tetrabromopyrene is C16H6Br4.

What is the molecular weight of 1,3,6,8-Tetrabromopyrene?

The molecular weight of 1,3,6,8-Tetrabromopyrene is 517.8 g/mol.

What is the IUPAC name of 1,3,6,8-Tetrabromopyrene?

The IUPAC name of 1,3,6,8-Tetrabromopyrene is 1,3,6,8-tetrabromopyrene.

What is the InChI code of 1,3,6,8-Tetrabromopyrene?

The InChI code of 1,3,6,8-Tetrabromopyrene is InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H.

What is the InChIKey of 1,3,6,8-Tetrabromopyrene?

The InChIKey of 1,3,6,8-Tetrabromopyrene is ZKBKRTZIYOKNRG-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3,6,8-Tetrabromopyrene?

The canonical SMILES of 1,3,6,8-Tetrabromopyrene is C1=CC2=C3C(=C(C=C2Br)Br)C=CC4=C(C=C(C1=C43)Br)Br.

What is the CAS number of 1,3,6,8-Tetrabromopyrene?

The CAS number of 1,3,6,8-Tetrabromopyrene is 128-63-2.

What is the UNII of 1,3,6,8-Tetrabromopyrene?

The UNII of 1,3,6,8-Tetrabromopyrene is 6VWU1E395N.

What is the XLogP3-AA value of 1,3,6,8-Tetrabromopyrene?

The XLogP3-AA value of 1,3,6,8-Tetrabromopyrene is 7.8.

Is 1,3,6,8-Tetrabromopyrene a canonicalized compound?

Yes, 1,3,6,8-Tetrabromopyrene is a canonicalized compound.