Basic information
- CAS
2175-90-8- Standard SMILES
C1=CC(=C(c2ccccc2)c2ccccc2)C=C1- InChIKey
BULLHRADHZGONG-UHFFFAOYSA-N- Molecular formula
- C18H14
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.10955045
Names & identifiers
- Preferred name
- 6,6'-Diphenylfulvene
- IUPAC
- [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene
- English name
- DIPHENYLFULVENE
- Molecular formula
- C18H14
- Molecular weight
- 230.3
Names & synonyms
Show more names
Database identifiers
- CAS
2175-90-8- PubChem CID
- 101236
- DTXSID
DTXSID50176148- UNII
- I8CJ7P33G3
- EC Number
- 218-533-4
- Nikkaji
- J13.870C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 81.5 · 81.5-83 °C (lit.)
- Boiling point
- 307.3 °C · 307.3°C (rough estimate)
- Density
- 1.0829 · 1.0829 (estimate)
- vapor pressure
- 0.033 · 0.033-0.084Pa at 25℃
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Refrigerator
- form
- Solid
- color
- Light yellow to Brown
- InChI
- InChI=1S/C18H14/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H
- InChIKey
- BULLHRADHZGONG-UHFFFAOYSA-N
- SMILES
- C(/C1=CC=CC=C1)(\C1=CC=CC=C1)=C1\C=CC=C\1
- LogP
- 3.43 · 3.43
- CAS DataBase Reference
- 2175 · 2175-90-8(CAS DataBase Reference)
- FDA UNII
- 8 CJ7P33G3 · I8CJ7P33G3
- EPA Substance Registry System
- 1 · Benzene, 1,1'-(2,4-cyclopentadien-1-ylidenemethylene)bis- (2175-90-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2902.9 · 2902.90.9000
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 3 of 3 reports by companies.;There are 0 notifications provided by 0 of 3 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24946
Regulatory information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24946
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2902.90.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses6,6-Diphenylfulvene is a useful research chemical.
Suppliers100 total
Related reactions
Compound notes
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