3,6-Dibromophthalonitrile
Product Information
Molecular Formula
C8H2Br2N2
Molecular Weight
285.92
IUPAC Name
3,6-dibromobenzene-1,2-dicarbonitrile
SMILES
C1=CC(=C(C(=C1Br)C#N)C#N)Br
InChI
InChI=1S/C8H2Br2N2/c9-7-1-2-8(10)6(4-12)5(7)3-11/h1-2H
InChI Key
BPQOZZWMISNVKN-UHFFFAOYSA-N
Purity
97%
Computed Properties
XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
285.85642
Monoisotopic Mass
283.85847
Topological Polar Surface Area
47.6
Heavy Atom Count
12
Formal Charge
0
Complexity
231
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-102942504-B | Synthesis method of 3,6-dibromo phthalonitrile | 2012-11-08 |
| DE-2250852-A1 | PROCESS FOR THE PRODUCTION OF IMINOISOINDOLINONE | 1971-10-19 |
| DE-2250852-B2 | Process for the preparation of 3-imino-halogen-isoindolin-1 -ones | 1971-10-19 |
| US-3887581-A | Process for producing iminoisoindolinone | 1971-10-19 |
| US-2198166-A | Arylo-pyrrolinethione compounds and process of producing | 1938-09-15 |
