Basic information
- CAS
54948-51-5- Standard SMILES
Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1- InChIKey
KGLYHHCCIBZMLN-UHFFFAOYSA-N- Molecular formula
- C18H18
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14085057
Overview
See also: 1,4-Bis(P-tolyl)-1,3-butadiene (annotation moved to).
Names & identifiers
- Preferred name
- Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis[4-methyl-
- IUPAC
- 1-methyl-4-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
- English name
- 1-methyl-4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dien-1-yl]benzene
- Molecular formula
- C18H18
- Molecular weight
- 234.34
Names & synonyms
54948-51-5Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis[4-methyl-SCHEMBL372652SCHEMBL5574122DTXSID903469291,1'-(Buta-1,3-diene-1,4-diyl)bis(4-methylbenzene)1,4-BIS(P-TOLYL)-1,3-BUTADIENE1-methyl-4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dien-1-yl]benzene
Database identifiers
- CAS
54948-51-5- PubChem CID
- 616474
- DTXSID
DTXSID90346929
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 398.683 · 398.683±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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