3-Bromoisonicotinamide - ≥95% , CAS No.13958-99-1

CAS: 13958-99-1 Cat. No.: B181409 Summenformel: C6H5BrN2O Molekulargewicht: 201.02
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GRADE & PURITY ≥95%
Synonyms
MFCD09702457 | A807566 | Z1269114039 | DTXSID60450446 | SCHEMBL5700120 | EN300-133359 | J-512108 | AKOS015891636 | FT-0645804 | 3-Bromoisonicotinamide | 3-bromo-isonicotinamide | 3-bromopyridine-4-carboxamide | 3-Bromo-4-pyridinecarboxamide | 3-broMo-2-ca
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
250mg
B181409-250mg
—
2 Auf Lager

19,00€

28,55€
Speichern 9,55 € (33.43%)
1g
B181409-1g
—
2 Auf Lager

71,94€

108,38€
Speichern 36,45 € (33.63%)
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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.

📋

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

Synonyme
MFCD09702457 | A807566 | Z1269114039 | DTXSID60450446 | SCHEMBL5700120 | EN300-133359 | J-512108 | AKOS015891636 | FT-0645804 | 3-Bromoisonicotinamide | 3-bromo-isonicotinamide | 3-bromopyridine-4-carboxamide | 3-Bromo-4-pyridinecarboxamide | 3-broMo-2-ca
Spezifikationen & Reinheit
≥95%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥95%
Namen und Kennungen
Pubchem Sid528758935
Kanonisches LächelnC1=CN=CC(=C1C(=O)N)Br
IUPAC Name3-bromopyridine-4-carboxamide
InChIKeyYQOHJFWLALWBBP-UHFFFAOYSA-N
INCHI1S/C6H5BrN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
Isomere SMILES C1=CN=CC(=C1C(=O)N)Br
Molekulargewicht 201.02
Reaxy-Rn 6191376
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6191376&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
KlassePyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxamides
Alternative Parents Aryl bromides  Vinylogous halides  Heteroaromatic compounds  Primary carboxylic acid amides  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridinecarboxamide - Aryl bromide - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

2 results found

Lot NumberCertificate TypeDatumArtikel
J2514297Certificate of AnalysisAug 08, 2025 B181409
J2514298Certificate of AnalysisAug 08, 2025 B181409
Chemische und physikalische Eigenschaften
Molekulargewicht201.020 g/mol
XLogP30.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass199.959 Da
Monoisotopic Mass199.959 Da
Topological Polar Surface Area56.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity140.000
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
Lösungsrechner
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