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Basic information
- CAS
939-27-5- Standard SMILES
CCc1ccc2ccccc2c1- InChIKey
RJTJVVYSTUQWNI-UHFFFAOYSA-N- Molecular formula
- C12H12
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.09390038
Names & identifiers
- Preferred name
- 2-Ethylnaphthalene
- IUPAC
- 2-ethylnaphthalene
- English name
- 2-Ethylnaphthalene
- Molecular formula
- C12H12
- Molecular weight
- 156.22
Names & synonyms
2-ETHYLNAPHTHALENE939-27-5Naphthalene, 2-ethyl-beta-EthylnaphthaleneEINECS 213-360-0NSC 59389DTXSID9061330Bethyl naphthalenebetaEthylnaphthaleneEthylnaphthalene, 2Naphthalene, 2ethylRefChem:472018
Show more names
naphthylethane2-Ethylnaphthalin-Ethylnaphthalene2-ethyl-naphthalen2-Ethylnaphthalene>Trofinetide Impurity 32-ETHYLNAPHTHALENE, 99+%
B-ETHYL NAPTHALENENAPTHALENE, 2-ETHYLDTXCID1048887213-360-0.beta.-EthylnaphthaleneMFCD000041272-Ethyl-naphthaleneCHEMBL370944
Database identifiers
- CAS
939-27-5- PubChem CID
- 13652
- DTXSID
DTXSID9061330- ChEMBL
CHEMBL370944- UNII
- QR6992R4PR
- EC Number
- 213-360-0
- Nikkaji
- J53.719E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- -70 °C · -70 °C (lit.)
- Boiling point
- 251 · 251-252 °C (lit.)
- Density
- 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.599(lit.)
- Flash point
- 104 °C · 104 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Water Solubility
- 8 mg/L · 8mg/L(25 ºC)
- BRN
- 1903545 · 1903545
- Henry's Law Constant
- 1.2 · 1.2×10-2 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
- InChIKey
- RJTJVVYSTUQWNI-UHFFFAOYSA-N
- SMILES
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, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- rtecs
- QJ6960000
- ridadr
- UN3082
- hs_code
- 2902.90.9000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 23-24/25
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H361-H372-H410
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P201-P264-P280-P301+P330+P331-P312
Chemistry & industry
Applications
Uses2-Ethylnaphthalene is a commonly used organic substance in the laboratory for hydrodealkylation reactions, energy transfer studies under varying concentrations of donor conditions and its vapour pressure in phase equilibrium cells.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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