Name: Name:5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
Brand: AABLOCKS
SKU: AA003RUV
Rating: 90 (10 reviews)

Catalog No.: AA003RUV

57800-76-7 | 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester

Pack Size： 250mg

Purity： 95%

in stock

$12.00 $8.00

Pack Size： 1g

Purity： 95%

in stock

$28.00 $19.00

Pack Size： 5g

Purity： 95%

in stock

$81.00 $57.00

Pack Size： 10g

Purity： 95%

in stock

$111.00 $78.00

Pack Size： 100g

Purity： 98%

in stock

$774.00 $542.00

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Technical Information

Catalog Number: AA003RUV

Chemical Name: 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester

CAS Number: 57800-76-7

Molecular Formula: C6H4ClNO4S

Molecular Weight: 221.6183

MDL Number: MFCD08275718

SMILES: COC(=O)c1sc(c(c1)[N+](=O)[O-])Cl

Properties

BP: 358.2°C at 760 mmHg

Form: Solid

MP: 83-84℃

Storage: Inert atmosphere;2-8℃;

Complexity: 231

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

Upstream Synthesis Route

57800-76-7

89166-85-8

[1]JournaloftheAmericanChemicalSociety,1952,vol.74,p.2965,2969

35475-03-7

57800-76-7

[1]Patent:EP1688420,2006,A1,.Locationinpatent:Page/Pagecolumn122

[2]Patent:CN107903208,2018,A,.Locationinpatent:Paragraph0136;0137;0139

[3]JournaloftheAmericanChemicalSociety,1952,vol.74,p.2965,2969

67-56-1

89166-85-8

57800-76-7

[1]Patent:WO2014/196793,2014,A1,.Locationinpatent:Page/Pagecolumn114

24065-33-6

57800-76-7

[1]JournaloftheAmericanChemicalSociety,1952,vol.74,p.2965,2969

[2]Patent:CN107903208,2018,A,

57800-76-7

89499-44-5

[1]ChemistryofHeterocyclicCompounds(NewYork,NY,UnitedStates),1983,vol.19,#12,p.1283-1286

[2]KhimiyaGeterotsiklicheskikhSoedinenii,1983,vol.19,#12,p.1626-1629

Downstream Synthesis Route

35475-03-7

57800-76-7

[1]Patent:EP1688420,2006,A1.Locationinpatent:Page/Pagecolumn122

[2]Patent:WO2019/193159,2019,A1.Locationinpatent:Page/Pagecolumn168

[3]Patent:CN107903208,2018,A.Locationinpatent:Paragraph0136;0137;0139

[4]MedicinalChemistryResearch,2019,vol.28,p.1633-1647

[5]JournaloftheAmericanChemicalSociety,1952,vol.74,p.2965,2969

57800-76-7

89166-85-8

[1]JournaloftheAmericanChemicalSociety,1952,vol.74,p.2965,2969

57800-76-7

3,3'-dinitro-2,2'bithienyl-5,5'-dicarboxylicaciddimethylester

[1]JournalofOrganicChemistry,1955,vol.20,p.1363,1368

553-53-7

57800-76-7

methyl5-<2-(3-pyridylcarbonyl)hydrazino>-4-nitro-2-thiophenecarboxylate

[1]Heterocycles,1993,vol.36,p.1323-1332

54-85-3

57800-76-7

methyl5-<2-(4-pyridylcarbonyl)hydrazino>-4-nitro-2-thiophenecarboxylate

[1]Heterocycles,1993,vol.36,p.1323-1332

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