4869-59-4

Name 3-MERCAPTOBENZOIC ACID
CAS 4869-59-4
Molecular Formula C7H6O2S
MDL Number MFCD00238636
Molecular Weight 154.19
MOL File 4869-59-4.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  144-147 °C (lit.)
Boiling point  322.7±25.0 °C(Predicted)
density  1.345±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  soluble in Ether,Alcohol
form  powder to crystal
pka 3.95±0.10(Predicted)
color  White to Light yellow to Light orange
Usage An aromatic thiol compound reducing agent hair cosmetic
Stability: Sensitive to Oxidation in Air
InChI InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)
InChIKey RSFDFESMVAIVKO-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(S)=C1
CAS DataBase Reference 4869-59-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
RIDADR  3261
WGK Germany  3
HazardClass  IRRITANT
PackingGroup  Ⅲ
HS Code  29309090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
STOT SE 3

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