1-Cyclohexylnaphthalene
Basic information
- CAS
3042-69-1- Standard SMILES
c1ccc2c(C3CCCCC3)cccc2c1- InChIKey
RAYZALBEMJMGEA-UHFFFAOYSA-N- Molecular formula
- C16H18
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.14085057
Names & identifiers
- Preferred name
- 1-Cyclohexylnaphthalene
- IUPAC
- 1-cyclohexylnaphthalene
- English name
- 1-cyclohexylnaphthalene
- Molecular formula
- C16H18
- Molecular weight
- 210.31
Names & synonyms
1-CyclohexylnaphthaleneNaphthalene, 1-cyclohexyl-RHX5NF3D2UEINECS 221-247-2NSC 131573NSC-131573DTXSID00184511.ALPHA.-CYCLOHEXYLNAPHTHALENERefChem:75502ALPHA-CYCLOHEXYLNAPHTHALENEDTXCID40107002221-247-2
Show more names
1-CYCLOHEXYLNAPHTALENE
3042-69-11-Cyclohexyl-naphthalene; NSC 131573;cyclohexylnaphthaleneNSC131573Vedaprofen Impurity 7UNII-RHX5NF3D2UI+/--cyclohexylnaphthaleneSCHEMBL168782
Database identifiers
- CAS
3042-69-1- PubChem CID
- 76440
- DTXSID
DTXSID00184511- UNII
- RHX5NF3D2U
- EC Number
- 221-247-2
- Nikkaji
- J80.625K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 31 °C · 31 °C
- Boiling point
- 118 · 118-120 °C
- Density
- 0.9696 g/cm3 · 0.9696 g/cm3
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- FDA UNII
- 5 NF3D2U · RHX5NF3D2U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H332-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
UsesAn intermediate in the preparation of Vedaprofen
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Related reactions
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Compound notes
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