Perhydrofluorene
Basic information
- CAS
5744-03-6- Standard SMILES
C1CCC2C(C1)CC1CCCCC12- InChIKey
OLWAZOBRCQWWDB-UHFFFAOYSA-N- Molecular formula
- C13H22
- Average molar mass
- 178.31 g/mol
- Monoisotopic mass
- 178.1721507
Names & identifiers
- Preferred name
- Perhydrofluorene
- IUPAC
- 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
- English name
- Perhydrofluorene
- Molecular formula
- C13H22
- Molecular weight
- 178.31
Names & synonyms
PERHYDROFLUORENE5744-03-6DodecahydrofluoreneFluorene, dodecahydro-1H-Fluorene, dodecahydro-EINECS 227-268-3NSC 76673RefChem:860310Fluorene, dodecahydro-(8CI)1H-Fluorene, dodecahydro-(9CI)227-268-3Dodecahydro-1H-fluorene
Show more names
Perhydrofluorene 97%fluorene,dodecahydro-dodecahydro-fluoranthene1H-fluorene,dodecahydro-Dodecahydrofluorene (mixture of isomers)
MFCD000011612,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorenePerhydrofluorene, 97%FLUORENE DECAHYDRONCIOpen2_000648SCHEMBL34913SCHEMBL34914SCHEMBL212308
Database identifiers
- CAS
5744-03-6- PubChem CID
- 21972
- DTXSID
DTXSID30871144- EC Number
- 227-268-3
- Nikkaji
- J102.603H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 15 °C · 15°C(lit.)
- Boiling point
- 253 °C · 253 °C(lit.)
- Density
- 0.92 g/mL · 0.92 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.501(lit.)
- Flash point
- 148 °F · 148 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Dielectric constant
- 2.31 · 2.3100000000000001
- InChI
- 1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2
- InChIKey
- OLWAZOBRCQWWDB-UHFFFAOYSA-N
- SMILES
- C1CCC2C(C1)CC3CCCCC23
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2902.90.9000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H413-H227
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4
- Precautionary statements
- P501-P273-P210-P280-P370+P378-P403+P235
Chemistry & industry
Applications
UsesPerhydrofluorene (Dodecahydrofluorene) was used as a hydrogen storage compound.
General DescriptionThe thermal decomposition of perhydrofluorene (dodecahydrofluorene) was studied to determine the formation of aromatics from naphthenes.
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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