1,12-Dichlorododecane
Basic information
- CAS
3922-28-9- Standard SMILES
ClCCCCCCCCCCCCCl- InChIKey
RNXPZVYZVHJVHM-UHFFFAOYSA-N- Molecular formula
- C12H24Cl2
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 238.1255062
Names & identifiers
- Preferred name
- 1,12-Dichlorododecane
- IUPAC
- 1,12-dichlorododecane
- English name
- 1,12-Dichlorododecane
- Molecular formula
- C12H24Cl2
- Molecular weight
- 239.23
Names & synonyms
1,12-Dichlorododecane3922-28-9EINECS 223-492-0DTXSID00192479RefChem:71192DTXCID60114970223-492-0Dodecamethylene dichlorideDodecane, 1,12-dichloro-starbld0018404SCHEMBL23691721,12-DICHLORO DODECANE
Show more names
1,12-Dichlorododecane, 98+%
SBB060823AKOS024390896DB-049392NS00030550ST51046930
Database identifiers
- CAS
3922-28-9- PubChem CID
- 77523
- DTXSID
DTXSID00192479- EC Number
- 223-492-0
- Nikkaji
- J79.879G
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 82.3
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 28 · 28-30 °C(lit.)
- Boiling point
- 170 · 170-172 °C10 mm Hg(lit.)
- Density
- 0.95 · 0.95
- refractive index
- 1.4508 · 1.4508 (estimate)
- Flash point
- 230 °F · >230 °F
- Henry's Law Constant
- 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Drouillard et al. (1998)
- InChI
- InChI=1S/C12H24Cl2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
- InChIKey
- RNXPZVYZVHJVHM-UHFFFAOYSA-N
- SMILES
- C(Cl)CCCCCCCCCCCCl
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38
- Safety Statements
- 37 · 37
- WGK Germany
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
- wgk
- 3
- risk_code
- 38
- hazard_code
- Xi
- safety_code
- 37
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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