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Reference substances

Reference substances

IUPAC name:
3-(4-chlorophenoxy)propane-1,2-diol

Inventory

EC number:
203-192-6
EC name:
Chlorphenesin
CAS number:
104-29-0
CAS number:
104-29-0
Synonyms
Names:
P-chlorophenyl-alpha-glyceryl ether (same as chlorphenesin)
chlorphenesin
Identifier:
IUPAC name
3-(4-chlorophenoxy)propane-1,2-diol
Identifier:
other: InChl
InChI=1/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
Identifier:
other: SMILES notation
OCC(O)COC1=CC=C(Cl)C=C1
Identifier:
other: SMILES notation
OCC(O)COc1ccc(Cl)cc1
3-(4-Chlorophenoxy)-1,2-propanediol

Molecular and structural information

Molecular formula:
C9H11ClO3
Molecular weight:
ca. 202.63
SMILES notation:
c1(ccc(cc1)Cl)OCC(CO)O
InChl:
InChI=1S/C9H11ClO3/c10-7-1-3-8(4-2-7)13-9(12)5-6-11/h1-4,9,11-12H,5-6H2
Structural formula:
Chemical structure

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