4-Mercaptophenol - CAS 637-89-8

Catalog:	BB032275
Product Name:	4-Mercaptophenol
CAS:	637-89-8
Synonyms:	4-sulfanylphenol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-sulfanylphenol
Description:	4-Mercaptophenol (CAS# 637-89-8) is a constitutional isomer of Iprodione (I745000), a fungicide.
Molecular Weight:	126.18
Molecular Formula:	C6H6OS
Canonical SMILES:	C1=CC(=CC=C1O)S
InChI:	InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H
InChI Key:	BXAVKNRWVKUTLY-UHFFFAOYSA-N
Boiling Point:	149-150 °C (25 mmHg)
Melting Point:	33-35 °C
Purity:	98 %
Density:	1.255 g/cm³
Appearance:	Clear colorless to light yellow solid or liquid
MDL:	MFCD00004850
LogP:	1.68090

Publication Number	Title	Priority Date
WO-2021125132-A1	Carbamoyl oxime compound, and polymerization initiator and polymerizable composition containing said compound	20191220
US-2021189080-A1	Composition for forming hard coat, method for producing article having hard coat, hard coat, hard-coated article, and silane-modified alicyclic compound	20191212
WO-2021117702-A1	Thermal recording material	20191212
US-2021171509-A1	Matrix metalloproteinase (mmp) inhibitors and methods of use thereof	20191114
WO-2021097190-A1	Matrix metalloproteinase (mmp) inhibitors and methods of use thereof	20191114

PMID	Publication Date	Title	Journal
22836924	20121002	Utilizing 3D SERS active volumes in aligned carbon nanotube scaffold substrates	Advanced materials (Deerfield Beach, Fla.)
22820428	20120903	Relative embryotoxic potency of p-substituted phenols in the embryonic stem cell test (EST) and comparison to their toxic potency in vivo and in the whole embryo culture (WEC) assay	Toxicology letters
22746277	20120724	Direct electrochemistry of Phanerochaete chrysosporium cellobiose dehydrogenase covalently attached onto gold nanoparticle modified solid gold electrodes	Langmuir : the ACS journal of surfaces and colloids
22432549	20120619	Formation of different gold nanocrystal core-resin shell structures through the control of the core assembly and shell polymerization	Langmuir : the ACS journal of surfaces and colloids
22302165	20120401	Electrochemically synthesized polymers in molecular imprinting for chemical sensing	Analytical and bioanalytical chemistry

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Related Functional Groups

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[60-23-1]
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GHS Hazard Statement:	H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.01393598
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.01393598
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1