ChemicalBook--->CAS DataBase List--->637-44-5

637-44-5

637-44-5 Structure

637-44-5 Structure
IdentificationMore
[Name]

Phenylpropiolic acid
[CAS]

637-44-5
[Synonyms]

3-PHENYL-2-PROPYNOIC ACID
3-PHENYLPROPYNOIC ACID
B-PHENYLPROPIOLIC ACID
PHENYLACETYLENECARBOXYLIC ACID
PHENYLPROPARGYLIC ACID
PHENYLPROPIOLIC ACID
PHENYLPROPYNOIC ACID
RARECHEM AL BE 0668
2-Propynoic acid, 3-phenyl-
3-phenyl-2-propynoicaci
3-Phenylpropiolic acid
b-Phenylpropargylic acid
Phenylacetylene monocarboxylic acid
Propiolic acid, 3-phenyl-
Propiolic acid, phenyl-
Phenylacetylenecarboxylic acid~3-Phenylpropynoic acid
Phenylpropioplic Acid
PHENYLPROPIOLIC ACID CRYSTALLINE
Phenylpropiolic acid, 98+%
3-Phenylpropargylic acid
[EINECS(EC#)]

211-285-8
[Molecular Formula]

C9H6O2
[MDL Number]

MFCD00004361
[Molecular Weight]

146.14
[MOL File]

637-44-5.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
[Melting point ]

135-137 °C (lit.)
[Boiling point ]

225.74°C (rough estimate)
[density ]

1.1674 (rough estimate)
[refractive index ]

1.5550 (estimate)
[storage temp. ]

0-6°C
[form ]

Fine Crystalline Powder
[pka]

pK1:2.269 (35°C)
[color ]

White to slightly beige
[Water Solubility ]

freely soluble
[BRN ]

742587
[InChIKey]

XNERWVPQCYSMLC-UHFFFAOYSA-N
[CAS DataBase Reference]

637-44-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenylpropiolic acid(637-44-5)
[EPA Substance Registry System]

637-44-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29163900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Phenylpropiolic acid(637-44-5).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
[Uses]

Phenylpropiolic Acid is used as a reagent in the high yield synthesis of 3,3-diphenylpropanoic acid derivatives via hydrophenylation and ionic hydrogenation with strong Lewis acids. It is also used in the synthesis of highly substituted aromatic rings via the alkyne-mediated approach which serve as templates for drug design.
[Definition]

ChEBI: An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.
[Purification Methods]

Crystallise the acid from *benzene, CCl4 (m 136o) or aqueous EtOH. The S-benzylisothiuronium salt has m 184-186o (from EtOH). [Beilstein 9 II 436, 9 III 3061, 9 IV 2327.]
Spectrum DetailBack Directory
[Spectrum Detail]

Phenylpropiolic acid(637-44-5)MS
Phenylpropiolic acid(637-44-5)1HNMR
Phenylpropiolic acid(637-44-5)13CNMR
Phenylpropiolic acid(637-44-5)IR1
Phenylpropiolic acid(637-44-5)IR2
Phenylpropiolic acid(637-44-5)IR3
Phenylpropiolic acid(637-44-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylpropiolic acid, 97%(637-44-5)
[Alfa Aesar]

Phenylpropiolic acid, 98+%(637-44-5)
[Sigma Aldrich]

637-44-5(sigmaaldrich)
[TCI AMERICA]

Phenylpropiolic Acid,>98.0%(T)(637-44-5)
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