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

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ChEBI Name	1,3-dichloropropan-2-ol

ChEBI ID	CHEBI:18917

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:34059

Supplier Information

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Formula

C3H6Cl2O

Net Charge

Average Mass

128.98500

Monoisotopic Mass

127.97957

InChI

InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

InChIKey

DEWLEGDTCGBNGU-UHFFFAOYSA-N

SMILES

OC(CCl)CCl

Roles Classification
Chemical Role(s):	protic solvent A polar solvent that is capable of acting as a hydron (proton) donor.

Application(s):	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	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	1,3-dichloroacetone (CHEBI:156485) has functional parent 1,3-dichloropropan-2-ol (CHEBI:18917)

IUPAC Name

1,3-dichloropropan-2-ol

Synonyms	Sources
1,3-DCP	ChEBI
1,3-dichloro-1,3-dideoxyglycerol	ChEBI
1,3-dichloro-2-hydroxypropane	ChemIDplus
1,3-Dichloro-2-propanol	KEGG COMPOUND
1,3-dichlorohydrin	ChemIDplus
1,3-dichloroisopropanol	ChemIDplus
1,3-dichloroisopropyl alcohol	ChemIDplus
1,3-dichloropropan-2-ol	NIST Chemistry WebBook
2-chloro-1-(chloromethyl)ethanol	NIST Chemistry WebBook
α,γ-dichlorohydrin	NIST Chemistry WebBook
α-dichlorohydrin	NIST Chemistry WebBook
glycerol 1,3-dichlorohydrin	ChemIDplus
HOCH(CH₂Cl)₂	ChEBI
sym-dichloroisopropyl alcohol	ChemIDplus
sym-glycerol dichlorohydrin	NIST Chemistry WebBook

Last Modified

15 September 2020