ChemicalBook--->CAS DataBase List--->4869-59-4

4869-59-4

4869-59-4 Structure

4869-59-4 Structure
IdentificationMore
[Name]

3-MERCAPTOBENZOIC ACID
[CAS]

4869-59-4
[Synonyms]

3-MERCAPTOBENZOIC ACID
3-sulfanylbenzenecarboxylic acid
m-Mercaptobenzoic Acid
NSC 32021
[Molecular Formula]

C7H6O2S
[MDL Number]

MFCD00238636
[Molecular Weight]

154.19
[MOL File]

4869-59-4.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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 ]

[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

An aromatic thiol compound reducing agent hair cosmetic
Spectrum DetailBack Directory
[Spectrum Detail]

3-MERCAPTOBENZOIC ACID(4869-59-4)1HNMR
3-MERCAPTOBENZOIC ACID(4869-59-4)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4869-59-4(sigmaaldrich)
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