Basic information
- CAS
13203-60-6- Standard SMILES
C(#Cc1ccccc1C#Cc1ccccc1)c1ccccc1- InChIKey
XOJSMLDMLXWRMT-UHFFFAOYSA-N- Molecular formula
- C22H14
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10955045
Names & identifiers
- Preferred name
- 1,2-Bis(phenylethynyl)benzene
- IUPAC
- 1,2-bis(2-phenylethynyl)benzene
- English name
- 1,2-Bis(phenylethynyl)benzene
- Molecular formula
- C22H14
- Molecular weight
- 278.35
Names & synonyms
1,2-bis(phenylethynyl)benzene13203-60-6benzene, 1,2-bis(phenylethynyl)-DTXSID90348721RefChem:215722DTXCID80299793InChI=1/C22H14/c1-3-9-19(10-4-1)15-17-21-13-7-8-14-22(21)18-16-20-11-5-2-6-12-20/h1-141,2-Bis-phenylethynyl-benzeneSCHEMBL2114742SCHEMBL2187896SCHEMBL2188992SCHEMBL5403604
Show more names
1,2-bis(2-phenylethynyl)benzeneBenzene, 1,2-bis(2-phenylethynyl)-
AKOS0243397091,1'-[1,2-Phenylenedi(ethyne-2,1-diyl)]dibenzene
Database identifiers
- CAS
13203-60-6- PubChem CID
- 640345
- DTXSID
DTXSID90348721- Nikkaji
- J683.928B
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 51 · 51-52 °C
- Boiling point
- 459.6 · 459.6±28.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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