9-Benzylidenefluorene
Basic information
- CAS
1836-87-9- Standard SMILES
C(=C1c2ccccc2-c2ccccc21)c1ccccc1- InChIKey
RMQMLYMBZGDKBY-UHFFFAOYSA-N- Molecular formula
- C20H14
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.10955045
Names & identifiers
- Preferred name
- 9-Benzylidenefluorene
- IUPAC
- 9-benzylidenefluorene
- English name
- 9-Benzylidenefluorene
- Molecular formula
- C20H14
- Molecular weight
- 254.33
Names & synonyms
9-Benzylidenefluorene1836-87-99H-Fluorene, 9-(phenylmethylene)-BenzalfluoreneFluorene, 9-benzylidene-1-Phenyl-2-biphenyleneethyleneNSC 12312DTXSID10171452RefChem:107769DTXCID3093943RMQMLYMBZGDKBY-UHFFFAOYSA-N9-Benzylidene-9H-fluorene
Show more names
TIMTEC-BB SBB008224LABOTEST-BB LT021038749-Benzylidenefluorene 98%9-BENZYLIDENEFLUORENE ---CRYSTALLINE POWDER---
MFCD000190929-benzalfluoreneNSC123129-Benzylidenefluorene, 98%9-(PHENYLMETHYLIDENE)-9H-FLUORENENSC-12312AKOS015839050BS-48719
Database identifiers
- CAS
1836-87-9- PubChem CID
- 137231
- DTXSID
DTXSID10171452- Nikkaji
- J131.547A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 74 · 74-77 °C (lit.)
- Boiling point
- 392.902 · 392.902±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- form
- Powder
- color
- White
- InChI
- 1S/C20H14/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-14H
- InChIKey
- RMQMLYMBZGDKBY-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)\C=C2\c3ccccc3-c4ccccc24
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses9-Benzylidenefluorene is a by-product in the synthesis of Benz[e]acephenanthrylene (B209865). Benz[e]acephenanthrylene is a polycyclic aromatic hydrocarbon that was detected in significant levels in airborne pollutants, auto exhaust and tobacco and marijuana smoke.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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