1074-36-8

Name 4-Mercaptobenzoic acid
CAS 1074-36-8
Molecular Formula C7H6O2S
MDL Number MFCD00016617
Molecular Weight 154.19
MOL File 1074-36-8.mol
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Chemical Properties

Appearance Cream Colour Crystalline Solid
Melting point  215-224 °C (lit.)
Boiling point  314.3±25.0 °C(Predicted)
density  1.345±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, Refrigerator, Under Inert Atmosphere
solubility  soluble in Alcohol,Ether
form  powder to crystal
pka 4.05±0.10(Predicted)
color  White to Yellow to Green
Detection Methods T
Stability: Store Under Argon; Air and Temperature Sensitive
InChI InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
InChIKey LMJXSOYPAOSIPZ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(S)C=C1
CAS DataBase Reference 1074-36-8(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 4-mercapto-(1074-36-8)
Storage Precautions Store under nitrogen

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P302+P352-P305+P351+P338
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 .
RIDADR  UN 3335
WGK Germany  3
Hazard Note  Irritant
HS Code  29309099

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