5-Fluoro-2-mercaptobenzoic acid - CAS 120121-07-5

Name: 5-Fluoro-2-mercaptobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004721
Product Name:	5-Fluoro-2-mercaptobenzoic acid
CAS:	120121-07-5
Synonyms:	5-fluoro-2-sulfanylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-fluoro-2-sulfanylbenzoic acid
Description:	5-Fluoro-2-mercaptobenzoic acid (CAS# 120121-07-5 ) is a useful research chemical.
Molecular Weight:	172.18
Molecular Formula:	C7H5FO2S
Canonical SMILES:	C1=CC(=C(C=C1F)C(=O)O)S
InChI:	InChI=1S/C7H5FO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10)
InChI Key:	WSOZOINWBSJTER-UHFFFAOYSA-N
Boiling Point:	294.1 °C at 760 mmHg
Density:	1.449 g/cm³
MDL:	MFCD02683508
LogP:	1.81260

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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
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[932236-53-8]C12H9ClN4
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

Sulfur Compounds

[6633-90-5]C8H18O4S2
1,4-Butanedithiol diacetate
[71996-48-0]C14H14O2S
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[1778-09-2]C9H10OS
4'-(Methylthio)acetophenone
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]C6H4ClF5S
4-Chlorophenylsulphur pentafluoride

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
EP-3859804-A2	Semiconductor device having quantum dots	20200131
JP-2021125492-A	Semiconductor devices, display devices, imaging systems and mobile objects	20200131
US-2021242416-A1	Semiconductor device having quantum dots, display device, imaging system, and moving body	20200131
US-10844282-B2	Corrosion inhibiting formulations and uses thereof	20190311
US-2020291297-A1	Corrosion inhibiting formulations and uses thereof	20190311

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.99942873
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.99942873
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8