Trans,trans-1,4-diphenyl-1,3-butadiene
Properties
- Molecular formula
- C16H14
- Molar mass
- 206.29 g/mol
- Exact mass
- 206.1096 Da
- logP
- 4.41Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
- Double bonds
- E, EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
538-81-8SMILES
C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2InChIKey
JFLKFZNIIQFQBS-FNCQTZNRSA-NInChI
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Trans,trans-1,4-diphenyl-1,3-butadiene
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,6-Diphenyl-1,3,5-hexatriene1720-32-7100 % similar
(E)-Stilbene103-30-073 % similar
(Z)-Stilbene645-49-873 % similar
Cinnamaldehyde104-55-265 % similar
Cinnamaldehyde14371-10-965 % similar
(E)-1-Phenyl-1,3-butadiene16939-57-465 % similar
1,9-Diphenylnona-1,3,6,8-tetraen-5-one622-21-961 % similar
β-Methylstyrene637-50-358 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.