Barium diphenylamine-4-sulfonate - CAS 6211-24-1

Catalog:	BB031420
Product Name:	Barium diphenylamine-4-sulfonate
CAS:	6211-24-1
Synonyms:	4-anilinobenzenesulfonate;barium(2+)

Technical Data

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Computed Properties

IUPAC Name:	4-anilinobenzenesulfonate;barium(2+)
Description:	Barium diphenylamine-4-sulfonate (CAS# 6211-24-1) is a useful reagent for detecting explosive substances.
Molecular Weight:	633.88
Molecular Formula:	C24H20BaN2O6S2
Canonical SMILES:	C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ba+2]
InChI:	InChI=1S/2C12H11NO3S.Ba/c214-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h21-9,13H,(H,14,15,16);/q;;+2/p-2
InChI Key:	IVCNVXFNTKXMCA-UHFFFAOYSA-L
Appearance:	White, Gray, Or light blue powder, Soluble in water
MDL:	MFCD00007497
LogP:	6.97620

Publication Number	Title	Priority Date
CN-112280093-A	EPS particles and preparation method thereof	20201030
CN-108054376-B	Application of selenium-based composite material as positive electrode active material in barium ion battery, barium ion battery and preparation method thereof	20171226
CN-108102192-A	A kind of corrosion-resistant ceramic material and its preparation method and application	20171223
CN-108570220-B	Polyester resin composition	20170314
CN-105253916-A	Preparation method for monoclinic phase Eu2O2SO4 microsphere	20150825

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Related Functional Groups

Sulfur Compounds

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[832739-83-0]
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GHS Hazard Statement:	H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501
Signal Word:	Warning

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	633.981526
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	633.981526
Rotatable Bond Count:	4
Topological Polar Surface Area:	155 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0