2,4-Dinitrobenzenesulfenyl chloride - CAS 528-76-7

Catalog:	BB027973
Product Name:	2,4-Dinitrobenzenesulfenyl chloride
CAS:	528-76-7
Synonyms:	(2,4-dinitrophenyl) thiohypochlorite

Technical Data

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Computed Properties

IUPAC Name:	(2,4-dinitrophenyl) thiohypochlorite
Description:	2,4-Dinitrobenzenesulfenyl chloride (CAS# 528-76-7) is used in the modification of chlorea toxins and it's promoters.
Molecular Weight:	234.62
Molecular Formula:	C6H3ClN2O4S
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCl
InChI:	InChI=1S/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChI Key:	GPXDNWQSQHFKRB-UHFFFAOYSA-N
Boiling Point:	430.1 °C at 760 mmHg
Purity:	> 96.0 % (T)
Density:	1.68 g/cm³
Solubility:	Other solvents(Soluble) : Dichloromethane, Glacial acetic acid
MDL:	MFCD00007129
LogP:	3.79530

Publication Number	Title	Priority Date
WO-2020014586-A1	Molecular neighborhood detection by oligonucleotides	20180712
AU-2019301750-A1	Molecular neighborhood detection by oligonucleotides	20180712
US-2021132076-A1	Molecular neighborhood detection by oligonucleotides	20180712
EP-3821010-A1	Molecular neighborhood detection by oligonucleotides	20180712
WO-2020014586-A9	Molecular neighborhood detection by oligonucleotides	20180712

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Related Functional Groups

Sulfur Compounds

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[85-47-2]
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[71996-48-0]
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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-83-0]
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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.9502054
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.9502054
Rotatable Bond Count:	0
Topological Polar Surface Area:	117
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4