Methyl 5-nitrobenzo[b]thiophene-2-carboxylate - ≥95% , CAS No.20699-86-9

CAS: 20699-86-9 Cat. No.: M191981 Peso molecular: 237.23 Número EC: 830-696-9
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
DTXSID90363398 | methyl 5-nitrobenzothiophene-2-carboxylate | SCHEMBL312497 | MFCD03618409 | STK357475 | A879489 | OSVZEJHBIFIMJF-UHFFFAOYSA-N | BBL022442 | AKOS004112154 | Benzo[b]thiophene-2-carboxylic acid, 5-nitro-, methyl ester | SY103084 | 5-nitro-b
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
M191981-250mg
2

9,90US$

14,90US$
Guardar 5,00 US$ (33.56%)
1g
M191981-1g
1

12,90US$

19,90US$
Guardar 7,00 US$ (35.18%)
5g
M191981-5g
2

63,90US$

95,90US$
Guardar 32,00 US$ (33.37%)
25g
M191981-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

316,90US$

475,90US$
Guardar 159,00 US$ (33.41%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
DTXSID90363398 | methyl 5-nitrobenzothiophene-2-carboxylate | SCHEMBL312497 | MFCD03618409 | STK357475 | A879489 | OSVZEJHBIFIMJF-UHFFFAOYSA-N | BBL022442 | AKOS004112154 | Benzo[b]thiophene-2-carboxylic acid, 5-nitro-, methyl ester | SY103084 | 5-nitro-b
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCOC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
IUPAC Namemethyl 5-nitro-1-benzothiophene-2-carboxylate
InChIKeyOSVZEJHBIFIMJF-UHFFFAOYSA-N
INCHI1S/C10H7NO4S/c1-15-10(12)9-5-6-4-7(11(13)14)2-3-8(6)16-9/h2-5H,1H3
Isómeros SMILES COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]
Peso molecular 237.23
Reaxy-Rn 1316692
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1316692&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzothiophenes
Subclass1-benzothiophenes
Intermediate Tree Nodes Not available
Direct Parent1-benzothiophenes
Alternative Parents Thiophene carboxylic acids and derivatives  Nitroaromatic compounds  2,3,5-trisubstituted thiophenes  Benzenoids  Methyl esters  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzothiophene - Thiophene carboxylic acid or derivatives - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
H2515532Certificate of AnalysisApr 09, 2025 M191981
H2515568Certificate of AnalysisApr 09, 2025 M191981
H2515569Certificate of AnalysisApr 09, 2025 M191981
H2515570Certificate of AnalysisApr 09, 2025 M191981
Propiedades químicas y físicas
Peso molecular237.230 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass237.01 Da
Monoisotopic Mass237.01 Da
Topological Polar Surface Area100.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity304.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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