5-Fluoro-2-mercaptobenzyl alcohol - CAS 870703-84-7

Name: 5-Fluoro-2-mercaptobenzyl alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038209
Product Name:	5-Fluoro-2-mercaptobenzyl alcohol
CAS:	870703-84-7
Synonyms:	(5-fluoro-2-sulfanylphenyl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5-fluoro-2-sulfanylphenyl)methanol
Description:	5-Fluoro-2-mercaptobenzyl alcohol (CAS# 870703-84-7 ) is a useful research chemical.
Molecular Weight:	158.19
Molecular Formula:	C7H7FOS
Canonical SMILES:	C1=CC(=C(C=C1F)CO)S
InChI:	InChI=1S/C7H7FOS/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChI Key:	IGEXHILBHGLPBB-UHFFFAOYSA-N
Boiling Point:	267.404 °C at 760 mmHg
Density:	1.317 g/cm³
LogP:	1.60670

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

Sulfur Compounds

[6633-90-5]C8H18O4S2
1,4-Butanedithiol diacetate
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]C13H14N6OS
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[1778-09-2]C9H10OS
4'-(Methylthio)acetophenone
[21124-33-4]C5H14N2S2
Ammonium diethyldithiocarbamate

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-10844282-B2	Corrosion inhibiting formulations and uses thereof	20190311
US-2020291297-A1	Corrosion inhibiting formulations and uses thereof	20190311
BR-PI0707117-A2	mutilin derivatives and their use as pharmaceuticals	20060116
CA-2635950-A1	Mutilin derivatives and their use as pharmaceutical	20060116
CA-2635950-C	Mutilin derivatives and their use as pharmaceutical	20060116

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.02016418
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.02016418
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3