ChemicalBook--->CAS DataBase List--->1074-36-8

1074-36-8

1074-36-8 Structure

1074-36-8 Structure
IdentificationMore
[Name]

4-Mercaptobenzoic acid
[CAS]

1074-36-8
[Synonyms]

4-MERCAPTOBENZOIC ACID
P-MERCAPTO BENZOIC ACID
4-Carboxybenzenethiol
4-Sulfanylbenzoic acid
Benzoic acid, p-mercapto-
p-Mercaptobenzoic Acid 4-Mercaptobenzoic Acid
Mercaptobenzoicacid,4-
4-Mercaptobenzoic Acid, Technical Grade
4-Mercaptobenzoic acid 97%
4-Mercapto Bezoic acid
4-mercaptobenzoate
4-Thiobenzoic acid
[Molecular Formula]

C7H6O2S
[MDL Number]

MFCD00016617
[Molecular Weight]

154.19
[MOL File]

1074-36-8.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

1-Benzothiophene-5-carboxylic acid-->1-Benzothiophene-5-carbonyl chloride-->4-(Methylthio)benzoic acid-->Methyl 4-Mercaptobenzoate-->4-(Trifluoromethylthio)benzoic acid-->4-(tritylthio)benzoic acid-->Benzenesulfonic acid, 4-bromo-, cyclobutyl ester-->4-(n-Propylthio)benzoic acid-->4-Vinylsulfonylbenzoic acid-->4-(n-Butylthio)benzoic acid
Hazard InformationBack Directory
[Chemical Properties]

Cream Colour Crystalline Solid
[Uses]

Gold nanostructures functionalized with 4-Mercaptobenzoic acid (4-MBA) may exhibit improve catalytic activity. Several studies report 4-MBA as a model analyte for surface enhancement Raman scattering (SERS) substrates.
[General Description]

4-mercaptobenzoic acid (4-MBA) is a probe molecule with thiol and carboxylic groups that form a self-assembled monolayers (SAMs) which can be used for the development of surface enhanced raman spectroscopy (SERS) sensors.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Mercaptobenzoic acid(1074-36-8)MS
4-Mercaptobenzoic acid(1074-36-8)1HNMR
4-Mercaptobenzoic acid(1074-36-8)13CNMR
4-Mercaptobenzoic acid(1074-36-8)IR1
4-Mercaptobenzoic acid(1074-36-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1074-36-8(sigmaaldrich)
[TCI AMERICA]

4-Mercaptobenzoic Acid,>95.0%(GC)(T)(1074-36-8)
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