Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate - ≥97% , CAS No.34674-75-4

CAS: 34674-75-4 Cat. No.: M183893 Molecular Weight: 252.2 EC Number: 990-287-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MS-7144 | MFCD00245562 | AKOS000321701 | Z274771376 | Methyl 3-amino-5-nitrobenzo[b]thiophene-2-carboxylate | DTXSID70374902 | 3-Amino-2-carbomethoxy-5-nitro-benzthiophene | SCHEMBL5251420 | WMZGLTDTPSMOMC-UHFFFAOYSA-N | STK262282 | methyl 3-amino-5-nitro
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
M183893-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$72.90
5g
M183893-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$216.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

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

Specifications

Synonyms
MS-7144 | MFCD00245562 | AKOS000321701 | Z274771376 | Methyl 3-amino-5-nitrobenzo[b]thiophene-2-carboxylate | DTXSID70374902 | 3-Amino-2-carbomethoxy-5-nitro-benzthiophene | SCHEMBL5251420 | WMZGLTDTPSMOMC-UHFFFAOYSA-N | STK262282 | methyl 3-amino-5-nitro
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCOC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N
IUPAC Namemethyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
InChIKeyWMZGLTDTPSMOMC-UHFFFAOYSA-N
INCHI1S/C10H8N2O4S/c1-16-10(13)9-8(11)6-4-5(12(14)15)2-3-7(6)17-9/h2-4H,11H2,1H3
Isomeric SMILES COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N
Molecular Weight 252.2
Reaxy-Rn 1385558
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1385558&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiophenes
Subclass1-benzothiophenes
Intermediate Tree Nodes Not available
Direct Parent1-benzothiophenes
Alternative Parents Thiophene carboxylic acids and derivatives  Nitroaromatic compounds  Aminothiophenes  Benzenoids  Vinylogous amides  Heteroaromatic compounds  Methyl esters  Amino acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Hydrocarbon derivatives  Organic oxides  Organooxygen compounds  Organopnictogen compounds  Primary amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzothiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Aminothiophene - Benzenoid - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight252.250 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass252.02 Da
Monoisotopic Mass252.02 Da
Topological Polar Surface Area126.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity333.000
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
Solution Calculators
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