1,6-Dibromopyrene

CAT: 0127-OR53108-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR53108-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

27973-29-1

MDL Number

MFCD09263746

Purity

98%

Smiles

Brc1ccc2ccc3c(Br)ccc4ccc1c2c34

Storage Conditions

Store at 2-8°C

Chemical Information

Pyrene, 1,6-Dibromo-

CAS Number	27973-29-1
PubChem CID	176470
IUPAC Name	1,6-dibromopyrene
Molecular Formula	C16H8Br2
Molecular Weight	360.04
XLogP	6.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	297

SMILES

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br

InChI

InChI=1S/C16H8Br2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H

InChIKey

JRCJYPMNBNNCFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27973-29-1

CID: 176470

Formula: C16H8Br2

MW: 360.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.04
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	359.89723
Monoisotopic Mass	357.89928
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR94903-01	1,8-Dibromopyrene
OR74231-01	2,7-Dibromopyrene
PC450223-01	1,1,1,6,6,6-Hexafluorohexane
OR1038845-01	1?6,2,6-thiadiazinane-1,1-dione
PC5801-01	2,4-Dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
PC5778-01	2-Chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
PC450084-01	1,1,1,2,2,5,5,6,6,6-Decafluoro-3-iodohexane
OR1002883-01	2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
OR1064222-01	1,6-Diphenylhexane-1,3,4,6-tetraone
OR1044422-01	[1,1'-Biphenyl]-2,2',6,6'-tetraol