rel-(3aR,7aS)-Octahydro-1H-indene
Basic information
- CAS
4551-51-3- Standard SMILES
C1CC[C@H]2CCC[C@H]2C1- InChIKey
BNRNAKTVFSZAFA-DTORHVGOSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Overview
Cis-hydrindane is a hydrindane.
Names & identifiers
- Preferred name
- rel-(3aR,7aS)-Octahydro-1H-indene
- IUPAC
- (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
- English name
- CIS-HYDRINDANE
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
cis-hydrindane4551-51-3cis-Hydrindancis-Perhydroindene(3aR,7aS)-octahydro-1H-indeneOctahydro-1H-indene, cis-8SZ801C84WCHEBI:49306RefChem:879141rel-(3aR,7aS)-Octahydro-1H-indene679-906-9cis-Hexahydroindan
Show more names
cis-hexahydrindancis-Hydrindane>cis-HexahydroindanCIS-HEXAHYDROINDANEcis-Octahydroindeneindan,hexahydro-,cis-
cis-Bicyclo[4.3.0]Nonanecis-Octahydro-1H-indene1H-Indene, octahydro-, cis-Indan, hexahydro-, cis-(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indeneCIS-BICYCLO(4.3.0)NONANEUNII-8SZ801C84WMFCD00085357
Database identifiers
- CAS
4551-51-3- PubChem CID
- 643587
- DTXSID
DTXSID401020887- ChEBI
CHEBI:49306- UNII
- 8SZ801C84W
- EC Number
- 104-333-3、679-906-9
- Nikkaji
- J43.369A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.2
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -36.8 °C · -36.8°C
- Boiling point
- 166 °C · 166 °C
- Density
- 0.88 · 0.88
- refractive index
- 1.47 to · 1.4700 to 1.4730
- CAS DataBase Reference
- 4551 · 4551-51-3
- FDA UNII
- 8 SZ801C84W · 8SZ801C84W
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 304 · H304-H226
- RIDADR
- 3295 · UN 3295 3/PG III
- HazardClass
- 3 · 3
- PackingGroup
- III
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryAn irritant; [ChemSampCo MSDS] See Indene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- ridadr
- UN 3295 3/PG III
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H304-H226
Chemistry & industry
Additional notes
DefinitionChEBI: Cis-hydrindane is a hydrindane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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