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103-04-8

103-04-8 structural image
Product Name: (PHENYLTHIO)ACETIC ACID
Formula: C8H8O2S
Synonyms: (Phenylmercapto)acetic acid;S-Phenylthioglycolic acid;Thiophenoxyacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beige powder with a stench; [Sigma-Aldrich MSDS]
Vapor Pressure 0.000278 [mmHg]
Kovats Retention Index 1535
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 168.21 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 168.02450067 g/mol
Monoisotopic Mass 168.02450067 g/mol
Topological Polar Surface Area 62.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 130
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes