1,3,6,8-Tetrabromopyrene

Catalog Number	ACM128632-1
CAS	128-63-2
Structure
Synonyms	Pyrene, 1,3,6,8-tetrabromo-
IUPAC Name	1,3,6,8-tetrabromopyrene
Molecular Weight	517.80
Molecular Formula	C16H6Br4
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
Purity	95%
Density	2.284g/cm3
Appearance	Pale yellow powder
Application	Synthetic building block for the creation of blue to green OLED emitters
Storage	room temp
EC Number	204-900-6
Exact Mass	513.72000
MDL Number	MFCD00428682

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.