p-Toluenesulfonyl fluoride - CAS 455-16-3

Catalog:	BB025908
Product Name:	p-Toluenesulfonyl fluoride
CAS:	455-16-3
Synonyms:	4-methylbenzenesulfonyl fluoride

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Computed Properties

IUPAC Name:	4-methylbenzenesulfonyl fluoride
Description:	p-Toluenesulfonyl fluoride (CAS# 455-16-3 ) is a useful research chemical.
Molecular Weight:	174.19
Molecular Formula:	C7H7FO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)F
InChI:	InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChI Key:	IZZYABADQVQHLC-UHFFFAOYSA-N
Boiling Point:	112 °C (16 torr)
Melting Point:	40-43 °C
Purity:	95 %
Density:	1.276 g/cm³
Appearance:	White to beige fused mass
MDL:	MFCD00007421
LogP:	2.73400

Publication Number	Title	Priority Date
CN-112174761-A	Fluorination method	20200923
CN-112121852-A	Catalyst composition and use of catalyst composition or catalyst for catalyzing nucleophilic substitution reaction	20200827
CN-112121852-B	Catalyst composition and use of catalyst composition or catalyst for catalyzing nucleophilic substitution reaction	20200827
CN-111370766-A	Electrolyte containing-S-F group compound and electrochemical device thereof	20200324
CN-113121401-A	N-substituted carbonyl fluorosulfonamide compound, preparation method and application thereof	20200116

PMID	Publication Date	Title	Journal
22690733	20120901	Biochemical identification and crystal structure of kynurenine formamidase from Drosophila melanogaster	The Biochemical journal
22531158	20120601	A thermoactive uropygial esterase from chicken: purification, characterisation and synthesis of flavour esters	International journal of biological macromolecules
22206819	20120301	Longistatin is an unconventional serine protease and induces protective immunity against tick infestation	Molecular and biochemical parasitology
21682140	20110401	Isolation and characterization of a metal ion-dependent alkaline protease from a halotolerant Bacillus aquimaris VITP4	Indian journal of biochemistry & biophysics
21104637	20101101	Iodine status of pregnant women from central Poland ten years after introduction of iodine prophylaxis programme	Endokrynologia Polska

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H332 (90.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0150788
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.0150788
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7