3-(2-Chlorophenyl)-2-propynoic acid
Basic information
- CAS
24654-08-8- Standard SMILES
O=C(O)C#Cc1ccccc1Cl- InChIKey
GDEUUQMXXWFQTB-UHFFFAOYSA-N- Molecular formula
- C9H5ClO2
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 179.9978071
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-2-propynoic acid
- IUPAC
- 3-(2-chlorophenyl)prop-2-ynoic acid
Names & synonyms
3-(2-CHLOROPHENYL)-2-PROPYNOIC ACIDo-Chlorophenylpropiolic acid2-Chlorophenylpropiolic acid2-Propynoic acid, 3-(2-chlorophenyl)-Propiolic acid, (o-chlorophenyl)-Propynoic acid, (2-chlorophenyl)-UNII-82W6J4561BHSDB 2673NSC 61873NSC-6187382W6J4561BDTXSID10179397
Show more names
2-CHLOROPHENYLPROPIOLIC ACID [HSDB]RefChem:92180oChlorophenylpropiolic acid2Chlorophenylpropiolic acidPropiolic acid, (ochlorophenyl)Propynoic acid, (2chlorophenyl)DTXCID401018882Propynoic acid, 3(2chlorophenyl)
Database identifiers
- CAS
24654-08-8- PubChem CID
- 32579
- DTXSID
DTXSID10179397- UNII
- 82W6J4561B
- Nikkaji
- J2.395.503B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesDensity
Color/FormCRYSTALS FROM 50% ACETIC ACID & BENZENE
SolubilityINSOL IN WATER; SOL IN HOT BENZENE, ACETIC ACID
Melting Point132.7-133.8 °C
Physical DescriptionSolid; [HSDB]
Chemistry & industry
Uses & manufacturing
UsesTested for plant growth inhibition; Not commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
General Manufacturing InformationTESTED FOR PLANT GROWTH INHIBITION.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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