Catalog No.:AA003FEY

6590-97-2 | 2,3-Dichlorophenyl isothiocyanate

Name: Name:2,3-Dichlorophenyl isothiocyanate
Brand: AABLOCKS
SKU: AA003FEY
Availability: InStock
Rating: 90 (10 reviews)

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95%

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95%

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$26.00 $18.00

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25g

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003FEY

Chemical Name:

2,3-Dichlorophenyl isothiocyanate

CAS Number:

6590-97-2

Molecular Formula:

C7H3Cl2NS

Molecular Weight:

204.0764

MDL Number:

MFCD00041048

SMILES:

Clc1c(cccc1Cl)N=C=S

Properties

BP:

256-258 °C(lit.)

Form:

Solid

MP:

257°C

Refractive Index:

n20/D 1.675(lit.)

Stability:

Moisture Sensitive

Computed Properties

Complexity:

179

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

4.6

Downstream Synthesis Route

6590-97-2

538372-37-1

861259-01-0

[1]Patent:WO2005/70906,2005,A1.Locationinpatent:Page/Pagecolumn25

921222-14-2

6590-97-2

921222-15-3

[1]Patent:WO2007/9774,2007,A1.Locationinpatent:Page/Pagecolumn26

6590-97-2

51940-44-4

1206482-79-2

[1]Locationinpatent:experimentalpartHoeglund,AdrienneB.;Bostic,HeidiE.;Howard,AngelaL.;Wanjala,IreneW.;Best,MichaelD.;Baker,DanielL.;Parrill,AbbyL.[JournalofMedicinalChemistry,2010,vol.53,#3,p.1056-1066]

[2]CurrentPatentAssignee:TENNESSEEBOARDOFREGENTS-US2012/100592,2012,A1

37806-29-4

6590-97-2

C16H16Cl2N2OS

[1]Locationinpatent:experimentalpartPerez-Medrano,Arturo;Donnelly-Roberts,DianaL.;Florjancic,AlanS.;Nelson,DerekW.;Li,Tongmei;Namovic,MarianT.;Peddi,Sridhar;Faltynek,ConnieR.;Jarvis,MichaelF.;Carroll,WilliamA.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#11,p.3297-3300]

6590-97-2

57678-45-2

1-(2,3-dichlorophenyl)-N-2-(dimethylamino)phenylmethyl}-1H-tetrazol-5-amin

[1]Perez-Medrano,Arturo;Donnelly-Roberts,DianaL.;Florjancic,AlanS.;Nelson,DerekW.;Li,Tongmei;Namovic,MarianT.;Peddi,Sridhar;Faltynek,ConnieR.;Jarvis,MichaelF.;Carroll,WilliamA.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#11,p.3297-3300]

Literature

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