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Product No: EE2405

LAWESSON'S REAGENT 98% For Synthesis

Name: LAWESSON'S REAGENT 98% For Synthesis
Brand: Chempure

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CAS Number

19172-47-5

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IUPAC name	2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-dithiadiphosphetane
canonical smiles	COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC
inchi	InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
inchi key	CFHGBZLNZZVTAY-UHFFFAOYSA-N
molecular formula	C14H14O2P2S4
synonyms	Lawesson's reagent 19172-47-5 Lawesson reagent 2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide Lawesson' reagent

Computed Properties

Molecular Weight:	404.5 g/mol
XLogP3:	6.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	403.93518837 g/mol
Monoisotopic Mass:	403.93518837 g/mol
Topological Polar Surface Area:	133 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	425
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Lawesson's reagent

(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene

Bis(2-methoxyphenyl)phosphine

Bis(4-methoxyphenyl)chlorophosphine

Bis(4-methoxyphenyl)phosphine

1,3-Bis-(4-methoxy-benzyl)-[1,3]diazetidine-2,4-dione

2-(4-Chlorobenzyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

Bis(4-methoxyphenyl)phosphine oxide

1,3-Bis(4-methoxyphenyl)-1,1,3,3-tetramethyldisiloxane

1-Methoxy-2-[methyl(phenyl)phosphoryl]benzene

Bis(2-methoxyphenyl)chlorophosphine

(R)-5-(4-methoxyphenyl)-3-(6-methoxypyridin-3-yl)cyclohex-2-enone

2-(4-Methoxyphenyl)-5-phenyloxolane

Cambridge id 5259281

1,5-Bis(4-methoxyphenyl)pentane-1,5-dione

hazard signal	Danger
hazard classes and categories	Water-react. 2 (85.71%) Acute Tox. 4 (23.21%) Acute Tox. 4 (14.29%)
precautionary statement codes	P231+P232, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P402+P404, and P501
hazard statements	H261 (85.71%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H302 (23.21%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (14.29%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (23.21%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	Reacts violently with water evolving flammable gases. May cause irritation.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-dithiadiphosphetane
canonical smiles	COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC
inchi	InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
inchi key	CFHGBZLNZZVTAY-UHFFFAOYSA-N
molecular formula	C14H14O2P2S4
synonyms	Lawesson's reagent 19172-47-5 Lawesson reagent 2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide Lawesson' reagent

Computed Properties

Molecular Weight:	404.5 g/mol
XLogP3:	6.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	403.93518837 g/mol
Monoisotopic Mass:	403.93518837 g/mol
Topological Polar Surface Area:	133 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	425
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Lawesson's reagent

(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene

Bis(2-methoxyphenyl)phosphine

Bis(4-methoxyphenyl)chlorophosphine

Bis(4-methoxyphenyl)phosphine

1,3-Bis-(4-methoxy-benzyl)-[1,3]diazetidine-2,4-dione

2-(4-Chlorobenzyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

Bis(4-methoxyphenyl)phosphine oxide

1,3-Bis(4-methoxyphenyl)-1,1,3,3-tetramethyldisiloxane

1-Methoxy-2-[methyl(phenyl)phosphoryl]benzene

Bis(2-methoxyphenyl)chlorophosphine

(R)-5-(4-methoxyphenyl)-3-(6-methoxypyridin-3-yl)cyclohex-2-enone

2-(4-Methoxyphenyl)-5-phenyloxolane

Cambridge id 5259281

1,5-Bis(4-methoxyphenyl)pentane-1,5-dione

hazard signal	Danger
hazard classes and categories	Water-react. 2 (85.71%) Acute Tox. 4 (23.21%) Acute Tox. 4 (14.29%)
precautionary statement codes	P231+P232, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P402+P404, and P501
hazard statements	H261 (85.71%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H302 (23.21%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (14.29%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (23.21%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	Reacts violently with water evolving flammable gases. May cause irritation.

Product No: EE2405

LAWESSON'S REAGENT 98% For Synthesis

Product No: EE2405

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: EE2405

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?