3-(4-Chlorophenoxy)-2-hydroxypropanoic acid

HCID 101174
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Basic information

CAS
39657-09-5
Standard SMILES
O=C(O)C(O)COc1ccc(Cl)cc1
InChIKey
HYNAIYBUUSJFKL-UHFFFAOYSA-N
Molecular formula
C9H9ClO4
Average molar mass
216.62 g/mol
Monoisotopic mass
216.01893645

Names & identifiers

Preferred name
3-(4-Chlorophenoxy)-2-hydroxypropanoic acid
IUPAC
3-(4-chlorophenoxy)-2-hydroxypropanoic acid
English name
Propanoic acid, 2-hydroxy-, ethyl ester, (R)-
Molecular formula
C9H9ClO4
Molecular weight
216.62

Names & synonyms

7698-98-83-(4-chlorophenoxy)-2-hydroxypropanoic acid3-(P-CHLOROPHENOXY)LACTIC ACID0416BZS7QA3-(4-chlorophenoxy)lactic acidNSC-5187133-(4-Chlorophenoxy)-2-hydroxypropionic acidUNII-0416BZS7QASCHEMBL15489183-(p-chlorophenoxy)-lactic acidDTXSID70275960HYNAIYBUUSJFKL-UHFFFAOYSA-N
Show more names
Chlorphenesin Impurity 7
NSC518713NSC 5187133-(4-chloro-phenoxy)-2-hydroxy-propionic acidPropanoic acid, 2-hydroxy-, ethyl ester, (R)-Propanoic acid, 3-(4-chlorophenoxy)-2-hydroxy-Q2724760139657-09-5

Database identifiers

CAS
39657-09-5、7698-98-8
PubChem CID
101174
DTXSID
DTXSID70275960
UNII
0416BZS7QA

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
135 · 135-136 °C
Boiling point
368 · 368.0±27.0 °C(Predicted)
Density
1.435 · 1.435±0.06 g/cm3(Predicted)
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid
pka
3.31 · 3.31±0.11(Predicted)

Chemistry & industry

Applications

Uses3-(p-Chlorophenoxy)lactic Acid is the urinary end-product/metabolite of Chlorphenesin metabolism in the rat and dogs.

Suppliers8 total

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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