1-Chloro-3-ethoxybenzene
Basic information
- CAS
2655-83-6- Standard SMILES
CCOc1cccc(Cl)c1- InChIKey
HNMYSCABMYNGTP-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 1-Chloro-3-ethoxybenzene
- IUPAC
- 1-chloro-3-ethoxybenzene
- English name
- 3-Chlorophenetole
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
1-Chloro-3-ethoxybenzene2655-83-6DTXSID40181125RefChem:1055243DTXCID50103616220-185-33-ChlorophenetolePhenetole, m-chloro-Benzene, 1-chloro-3-ethoxy-EINECS 220-185-3m-Chlorophenyl ethyl ether1-Chloro-3-ethoxybenzene #
Show more names
3-ChloroethoxybenzeneM-CHLOROETHOXYBENZENE3-Chlorophenylethyl ether
SCHEMBL157423SCHEMBL315807SCHEMBL315808SCHEMBL535552SCHEMBL1148347SCHEMBL3523639SCHEMBL4880339SCHEMBL30167806
Database identifiers
- CAS
2655-83-6- PubChem CID
- 75866
- DTXSID
DTXSID40181125- EC Number
- 220-185-3
- Nikkaji
- J100.832C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 86.5 °C12 · 86.5 °C12 mm Hg(lit.)
- Density
- 1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.525(lit.)
- Flash point
- 198 °F · 198 °F
- Specific Gravity
- 1.12 · 1.120
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Peroxide Forming Chemical
3-Chlorophenetole
D: Other compounds that may form peroxides
Kelly
Safety data
- wgk
- 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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