4-Mercaptophenol

HCID 240147
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Basic information

CAS
637-89-8
Standard SMILES
Oc1ccc(S)cc1
InChIKey
BXAVKNRWVKUTLY-UHFFFAOYSA-N
Molecular formula
C6H6OS
Average molar mass
126.18 g/mol
Monoisotopic mass
126.01393581

Overview

structure in first source

Names & identifiers

Preferred name
4-Mercaptophenol
IUPAC
4-sulfanylphenol
English name
4-Mercaptophenol
Molecular formula
C6H6OS
Molecular weight
126.18

Names & synonyms

4-Mercaptophenol4-Hydroxythiophenol637-89-84-Hydroxybenzenethiolp-MercaptophenolPhenol, 4-mercapto-MonothiohydroquinonePhenol, p-mercapto-Hydroquinone, monothio-TAL4TS4AC3NSC-46192DTXSID2073223
Show more names
hydroxybenzenethiolusafb-574MERCAPTOPHENOPARA-THIOPHENOL
RefChem:524402DTXCID0044072211-307-64-Sulfanylphenolp-HydroxythiophenolThiohydroquinone4-Hydroxy ThiophenolUSAF B-57

Database identifiers

CAS
637-89-8
PubChem CID
240147
DTXSID
DTXSID2073223
UNII
TAL4TS4AC3
EC Number
211-307-6
Nikkaji
J31.042E

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
21.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
33 · 33-35 °C(lit.)
Boiling point
149 · 149-150 °C25 mm Hg(lit.)
Density
1.255 · 1.255
refractive index
1.5101 · 1.5101 (estimate)
Flash point
230 °F · >230 °F
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPhenol, 4-mercapto-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (95.4%)

Safety data

F
10-13-23
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
MX7175000
ridadr
2811
hs_code
29309090

Chemistry & industry

Applications · 3 items

Uses4-Mercaptophenol was used as a resin monomer in the study of the different gold nanocrystal core-resin shell structures.

Uses4-Mercaptophenol (MPH) has been used to study the adsorption of MPH on silver coated polystyrene nanospheres by time-dependent surface-enhanced Raman scattering (SERS) spectroscopy.4-Mercaptophenol may be used in the preparation of silylated monomer, which was employed for the synthesis of hyperbranched poly(ester-imide). 4-Mercaptophenol (H-4MP) reacts with metal tert-butoxides ([M(OBut)4]) to yield the following Group 4 phenoxy-thiols:[(HOBut)(4MP)3M(μ-4MP)]2, where M = Ti, Zr, Hf[(py)2M(4MP)], where M = Ti, Zr; py = pyridine[(py)(4MP)3Hf(μ-4MP)]2 4-Mercaptophenol may be used in the synthesis of the following:poly(ethersulfide)s via silylation followed by polycondensation with 2,6-dichloropyridine or 3,6-dichloropyridazine2,6-di-tertiarybutyl-4-mercaptophenol via Friedel-Craft′s alkylation with tert-butyl chloride in presence of a lewis acid

General DescriptionThe density function theory calculations were performed to infer the IR and Raman spectra for 4-mercaptophenol molecule.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

278 records
New reaction record

Compound notes

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