2-Fluoro-5-methylbenzenesulfonyl chloride - CAS 870704-14-6

Name: 2-Fluoro-5-methylbenzenesulfonyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038223
Product Name:	2-Fluoro-5-methylbenzenesulfonyl chloride
CAS:	870704-14-6
Synonyms:	2-fluoro-5-methylbenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-5-methylbenzenesulfonyl chloride
Description:	2-Fluoro-5-methylbenzenesulfonyl chloride (CAS# 870704-14-6) is a useful research chemical.
Molecular Weight:	208.64
Molecular Formula:	C7H6ClFO2S
Canonical SMILES:	CC1=CC(=C(C=C1)F)S(=O)(=O)Cl
InChI:	InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4H,1H3
InChI Key:	MOZTWWZAQLPJMT-UHFFFAOYSA-N
Boiling Point:	268.6 °C at 760 mmHg
Melting Point:	32-34 °C
Purity:	95 %
Density:	1.423 g/cm³
Appearance:	Solid
MDL:	MFCD04039785
LogP:	3.14240

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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
[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
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]C7H6F2
2,4-Difluorotoluene
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

Sulfur Compounds

[2006276-82-8]C9H12ClNO4S2
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]C8H18O4S2
1,4-Butanedithiol diacetate
[162894-76-0]C2H7NO3S
2-Hydroxyethane-1-sulfonamide
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]C8H4F3NS2
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3712143-A1	Quinazolinone compound and application thereof	20171113
US-2020317660-A1	Quinazolinone Compound and Application Thereof	20171113
US-2020308122-A1	Novel non-systemic tgr5 agonists	20160701
CN-109526219-A	Benzsulfamide and its purposes as therapeutic agent	20160520
EP-3404017-A1	Fluorine atom-containing compound and use thereof	20160114

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9761065
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.9761065
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4