CHEBI:18917 - 1,3-dichloropropan-2-ol

ChEBI IDCHEBI:18917
ChEBI Name1,3-dichloropropan-2-ol
Stars
DefinitionA secondary alcohol that is isopropanol in which one hydrogen of each methyl group is substituted by a chlorine. A liquid at room temperature (melting point −4°C, boiling point 174°C at 760 mm Hg), it is used as a solvent for hard resins and nitrocellulose.
Secondary ChEBI IDCHEBI:34059
Last Modified15 September 2020
DownloadsMolfile
FormulaC3H6Cl2O
Net Charge0
Average Mass128.986
Monoisotopic Mass127.97957
SMILESOC(CCl)CCl
InChIInChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKeyDEWLEGDTCGBNGU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
Applications:
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
cross-linking reagent  A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified.
ChEBI Ontology
Outgoing Relation(s)
1,3-dichloropropan-2-ol (CHEBI:18917) has role cross-linking reagent (CHEBI:50684)
1,3-dichloropropan-2-ol (CHEBI:18917) has role protic solvent (CHEBI:48356)
1,3-dichloropropan-2-ol (CHEBI:18917) is a organochlorine compound (CHEBI:36683)
1,3-dichloropropan-2-ol (CHEBI:18917) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
1,3-dichloroacetone (CHEBI:156485) has functional parent 1,3-dichloropropan-2-ol (CHEBI:18917)
IUPAC Name 
1,3-dichloropropan-2-ol
Synonyms  Source
1,3-DCPChEBI
1,3-dichloro-1,3-dideoxyglycerolChEBI
1,3-dichloro-2-hydroxypropaneChemIDplus
1,3-Dichloro-2-propanolKEGG COMPOUND
1,3-dichlorohydrinChemIDplus
1,3-dichloroisopropanolChemIDplus
Manual XrefsDatabases
c0018UM-BBD
C14399KEGG COMPOUND
RU2263656Patent
Registry NumbersSources
Reaxys:1732063Reaxys
CAS:96-23-1KEGG COMPOUND
CAS:96-23-1ChemIDplus
CAS:96-23-1NIST Chemistry WebBook
Citations