336629
3-(Phenylthio)acrylic acid, mixture of cis and trans
98%
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About This Item
Linear Formula:
C6H5SCH=CHCO2H
CAS Number:
Molecular Weight:
180.22
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Product Name
3-(Phenylthio)acrylic acid, mixture of cis and trans, 98%
InChI
1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
SMILES string
OC(=O)\C=C/Sc1ccccc1
InChI key
QCLSYKCZWZYPIX-SREVYHEPSA-N
assay
98%
mp
102-106 °C (lit.)
functional group
carboxylic acid
thioether
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Transmission of Substituent Effects through Oxygen and Sulfur Atoms. III. The Ionization Equilibrium Constants of Ringsubstituted cis-jS-Phenoxyacrylic Acids.
Kajimoto O, et al.
Bulletin of the Chemical Society of Japan, 46(5), 1425-1428 (1973)
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