Basic information
- CAS
2327-99-3- Standard SMILES
C=C=Cc1ccccc1- InChIKey
WEHMXWJFCCNXHJ-UHFFFAOYSA-N- Molecular formula
- C9H8
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.06260026
Names & identifiers
- Preferred name
- Benzene, 1,2-propadienyl-
- IUPAC
- propa-1,2-dienylbenzene
- English name
- 1-Phenylallene
- Molecular formula
- C9H8
- Molecular weight
- 116.16
Names & synonyms
2327-99-3Benzene, 1,2-propadienyl-RefChem:1078222Phenylallenepropa-1,2-dien-1-ylbenzenepropa-1,2-dienylbenzeneBenzene, 1,2-propadien-1-yl-Benzene, propadienyl-1,2-Propadienylbenzene(1,2-Propadien-1-yl)benzenepropadienylbenzeneC9H8
Show more names
1-Phenylpropadiene(1,2-Propadienyl)benzenepropa-1, 2-dienylbenzene
Phenylpropadiene1-Phenylalleneallenylbenzenepropa-1,2-dienyl-benzene1,2-Propadienylbenzene #1,2-Propadien-1-ylbenzene1,2-Propadiene, 1-phenyl-SCHEMBL370016
Database identifiers
- CAS
2327-99-3- PubChem CID
- 75355
- DTXSID
DTXSID90945956- Nikkaji
- J109.022D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 73 °C · 73 °C(Press: 20 Torr)
- Density
- 0.907 g/cm3 · 0.9070 g/cm3(Temp: 2 °C)
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- Appearance
- Light yellow to yellow Liquid
- EPA Substance Registry System
- 1 · 1,2-Propadienylbenzene (2327-99-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
安徽英纳威迅科技有限公司0551-62106121 13625641131 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…