Basic information
- CAS
38791-69-4- Standard SMILES
N#Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N- InChIKey
GCQXFKBSPSLVPY-UHFFFAOYSA-N- Molecular formula
- C28H14N4O2
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.1116757
Names & identifiers
- Preferred name
- 4,4'-Bis(3,4-dicyanophenoxy)biphenyl
- IUPAC
- 4-[4-[4-(3,4-dicyanophenoxy)phenyl]phenoxy]benzene-1,2-dicarbonitrile
- English name
- 1,2-Benzenedicarbonitrile, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-
- Molecular formula
- C28H14N4O2
- Molecular weight
- 438.44
Names & synonyms
38791-69-44,4'-Bis(3,4-dicyanophenoxy)biphenylDTXSID80348311RefChem:284554DTXCID70299383GCQXFKBSPSLVPY-UHFFFAOYSA-N4,4'-([1,1'-Biphenyl]-4,4'-diylbis(oxy))diphthalonitrile1,2-Benzenedicarbonitrile, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-4-[4-[4-(3,4-dicyanophenoxy)phenyl]phenoxy]benzene-1,2-dicarbonitrileOprea1_074042SCHEMBL1377135SCHEMBL29688449
Show more names
MFCD003287534,4'-Bis (3,4-Dicyanophenoxy) BiphenylF5775224,4'-[[1,1'-Biphenyl]-4,4'-diylbis(oxy)]di(benzene-1,2-dicarbonitrile)4-([4'-(3,4-Dicyanophenoxy)[1,1'-biphenyl]-4-yl]oxy)phthalonitrile #
Database identifiers
- CAS
38791-69-4- PubChem CID
- 634883
- DTXSID
DTXSID80348311- Nikkaji
- J743.859A
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 806
Physicochemical properties
- Melting point
- 228 · 228-230 °C
- Boiling point
- 685 · 685.0±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers16 total
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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上海杰瑞兴生物医药科技有限公司17521512546 17721492509 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
1 records
Compound notes
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