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

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

Sulfur Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[123-43-3]C2H4O5S
Sulfoacetic acid
[6633-90-5]C8H18O4S2
1,4-Butanedithiol diacetate
[85-47-2]C10H8O3S
1-Naphthalenesulfonic acid
[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

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