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63413-91-2

63413-91-2 Structure

63413-91-2 Structure
IdentificationBack Directory
[Name]

3-(PHENYLTHIO)ACRYLIC ACID
[CAS]

63413-91-2
[Synonyms]

2-Propenoic acid, 3-(phenylthio)-
3-(phenylthio)acrylic acid, mixture of cis A
3-(Phenylthio)acrylic acid,mixture of cis and trans
3-(PHENYLTHIO)ACRYLIC ACID, 98%, MIXTURE OF CIS AND TRANS
[Molecular Formula]

C9H8O2S
[MDL Number]

MFCD00075084
[MOL File]

63413-91-2.mol
[Molecular Weight]

180.22
Chemical PropertiesBack Directory
[Melting point ]

102-106 °C (lit.)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Pale Brown to Light Brown
[InChI]

1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
[InChIKey]

QCLSYKCZWZYPIX-SREVYHEPSA-N
[SMILES]

OC(=O)\C=C/Sc1ccccc1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-(Phenylthio)acrylic acid is also referred as cis-β-phenyl thioacrylic acid. Ionization constants of cis-β-phenyl thioacrylic acid and their ring derivatives have been evaluated.
[General Description]

3-(Phenylthio)acrylic acid is also referred as cis-β-phenyl thioacrylic acid. Ionization constants of cis-β-phenyl thioacrylic acid and their ring derivatives have been evaluated.
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