4-Mercaptobenzoic acid - CAS 1074-36-8

Catalog:	BB002078
Product Name:	4-Mercaptobenzoic acid
CAS:	1074-36-8
Synonyms:	4-sulfanylbenzoic acid

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Computed Properties

IUPAC Name:	4-sulfanylbenzoic acid
Description:	4-Mercaptobenzoic acid (CAS# 1074-36-8) is a compound useful in organic synthesis.
Molecular Weight:	154.19
Molecular Formula:	C7H6O2S
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)S
InChI:	InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
InChI Key:	LMJXSOYPAOSIPZ-UHFFFAOYSA-N
Boiling Point:	314.3 °C at 760 mmHg
Melting Point:	215-224 °C
Purity:	95 %
Density:	1.345 g/cm³
Appearance:	White to pale yellow powder
MDL:	MFCD00016617
LogP:	1.67350

Publication Number	Title	Priority Date
WO-2021126120-A1	3/4-((2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienylthio)benzamide derivative compounds	20191220
WO-2021102658-A1	Use of two-dimensional titanium carbide nanosheet in raman test and raman test substrate and test method	20191125
WO-2021106714-A1	Fiber-reinforced thermoplastic resin molded article	20191125
WO-2021084603-A1	Resin composition for wavelength conversion, cured resin material for wavelength conversion, wavelength conversion member, backlight unit and image display device	20191029
US-2021111291-A1	Photoelectric conversion element	20191011

PMID	Publication Date	Title	Journal
24560625	20140505	Selective binding of naphthoquinone derivatives to serum albumin proteins and their effects on cytotoxicity	Chemico-biological interactions
22898563	20121007	A simple and highly efficient route to the synthesis of NaLnF4-Ag hybrid nanorice with excellent SERS performances	The Analyst
22881392	20120918	Surface-enhanced raman scattering detection of pH with silica-encapsulated 4-mercaptobenzoic acid-functionalized silver nanoparticles	Analytical chemistry
22748429	20120915	Surface-enhanced Raman scattering-active substrates of electrospun polyvinyl alcohol/gold-silver nanofibers	Journal of colloid and interface science
22683833	20120907	Plasmonic response of electrified metal-liquid interfaces during faradaic and non-faradaic reactions by enhanced optical transmission	The Analyst

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0088506
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.0088506
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3