2-Bromobenzamide - ≥98%(HPLC) , CAS No.4001-73-4

CAS: 4001-73-4 Cat. No.: B152337 Fórmula: C7H6BrNO Peso molecular: 200.04 Beilstein Registry Number: 9348 Número CE: 223-650-9
Disponível para encomenda
GRADE & PURITY ≥98%(HPLC)
Synonyms
Dipivalyl epinephrine hydrochloride | DTXSID50193077 | AKOS000197212 | bromobenzamide | EINECS 223-650-9 | S-((6-Chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate | InChI=1/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) |
Storage
Room temperature
Shipped In
Normal
Size
Alemanha (EU)
USA*
Price
Qty
1g
B152337-1g
5 Em stock

8,59€

12,93€
Gravar 4,34 € (33.56%)
5g
B152337-5g
9 Em stock

15,53€

23,34€
Gravar 7,81 € (33.46%)
25g
B152337-25g
1 Em stock

34,62€

51,98€
Gravar 17,35 € (33.39%)
100g
B152337-100g
Sob encomenda · 8–12 semanas

136,15€

204,70€
Gravar 68,55 € (33.49%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

2-Bromobenzamide has been used in:microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones;palladium-catalyzed synthesis of phenanthridinones;synthesis of new water-soluble iminophosphorane ligand.

Specifications

Sinónimos
Dipivalyl epinephrine hydrochloride | DTXSID50193077 | AKOS000197212 | bromobenzamide | EINECS 223-650-9 | S-((6-Chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate | InChI=1/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) |
Especificações e pureza
≥98%(HPLC)
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Pureza
≥98%(HPLC)
Nomes e identificadores
Pubchem Sid504755198
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504755198
Sorrisos canónicosC1=CC=C(C(=C1)C(=O)N)Br
IUPAC Name2-bromobenzamide
InChIKeyNHNAEZDWNCRWRW-UHFFFAOYSA-N
INCHI1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
SMILES isoméricas C1=CC=C(C(=C1)C(=O)N)Br
WGK Alemanha 3
Peso molecular 200.04
Beilstein 9348
Reaxy-Rn 2245289
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2245289&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
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent2-halobenzoic acids and derivatives
Alternative Parents Benzamides  Benzoyl derivatives  Bromobenzenes  Aryl bromides  Vinylogous halides  Primary carboxylic acid amides  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 TypeDataItem
L2214741Certificate of AnalysisSep 07, 2026 B152337
L2420055Certificate of AnalysisDec 21, 2024 B152337
C2019130Certificate of AnalysisJan 08, 2024 B152337
E2330058Certificate of AnalysisJun 07, 2023 B152337
Propriedades químicas e físicas
SolubilidadeSlightly soluble in water.
Ponto de fusão (°C)158-162 °C
Peso molecular200.030 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass198.963 Da
Monoisotopic Mass198.963 Da
Topological Polar Surface Area43.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity138.000
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
Citations of This Product
Referências
1. Jinxiu Lou, Lu Yin, Zhu Meng, Shuangxi Fang, Xiangliang Pan.  (2023)  Occurrence, stability and cytotoxicity of halobenzamides: A new group of nitrogenous disinfection byproducts in drinking water.  WATER RESEARCH,      [PMID:37778081] [10.1016/j.watres.2023.120670]
Calculadoras de soluções
Revisões

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