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