Basic information
- CAS
42217-02-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCl- InChIKey
AFGNVSCTEXUEJE-UHFFFAOYSA-N- Molecular formula
- C20H41Cl
- Average molar mass
- 317 g/mol
- Monoisotopic mass
- 316.289679
Names & identifiers
- Preferred name
- Chloroicosane
- IUPAC
- 1-chloroicosane
- English name
- 1-Chloroeicosane
- Molecular formula
- C20H41Cl
- Molecular weight
- 316.99
Names & synonyms
1-CHLOROEICOSANE1-ChloroicosaneChloroicosaneWS6HS8YEK7EINECS 255-708-4DTXSID60195042RefChem:125426DTXCID70117533255-708-4AFGNVSCTEXUEJE-UHFFFAOYSA-N42217-02-7Eicosane, 1-chloro-
Show more names
chloroeicosaneIcosyl chlorideN-EICOSYL CHLORIDE1-Chloroeicosane >1-CHLOROEICOSANE 96+%
MFCD00058938cosyl chloride1-Chloroicosane #UNII-WS6HS8YEK7SCHEMBL868627AKOS024390928C20H41ClEicosyl Chloride
Database identifiers
- CAS
42217-02-7- PubChem CID
- 39150
- DTXSID
DTXSID60195042- UNII
- WS6HS8YEK7
- EC Number
- 255-708-4
- Nikkaji
- J693I
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 18
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 37.6 °C · 37.6°C
- Boiling point
- 407.35 °C · 407.35°C (estimate)
- Density
- 0.8862 · 0.8862 (estimate)
- refractive index
- 1.458 · 1.4580 (estimate)
- Flash point
- 31 °C · 31 °C
- FDA UNII
- 6 HS8YEK7 · WS6HS8YEK7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers32 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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