5'-Bromo-2'-hydroxy-3'-nitroacetophenone - ≥98% , CAS No.70978-54-0

CAS: 70978-54-0 Cat. No.: B151942 Fórmula: C8H6BrNO4 Peso molecular: 260.04 Número CE: 628-114-1
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
AKOS000112352 | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one | MFCD01631134 | CLNIBJASCGZXHH-UHFFFAOYSA-N | 3-Bromo-6-hydroxy-5-nitroacetophenone | AN-829/40882313 | 5 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxy-3 inverted excl
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
Size
Alemanha (EU)
USA*
Price
Qty
1g
B151942-1g
Sob encomenda · 8–12 semanas
9,46€
5g
B151942-5g
Sob encomenda · 8–12 semanas

16,40€

25,08€
Gravar 8,68 € (34.60%)
25g
B151942-25g
Sob encomenda · 8–12 semanas

69,33€

104,04€
Gravar 34,71 € (33.36%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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

Sinónimos
AKOS000112352 | 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-one | MFCD01631134 | CLNIBJASCGZXHH-UHFFFAOYSA-N | 3-Bromo-6-hydroxy-5-nitroacetophenone | AN-829/40882313 | 5 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxy-3 inverted excl
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Store at 2-8°C,Argon charged
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥98%
Nomes e identificadores
Sorrisos canónicosCC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O
IUPAC Name1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone
InChIKeyCLNIBJASCGZXHH-UHFFFAOYSA-N
INCHI1S/C8H6BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
SMILES isoméricas CC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O
WGK Alemanha 3
Peso molecular 260.04
Reaxy-Rn 2583888
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2583888&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
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Nitrophenols  Acetophenones  Nitrobenzenes  Aryl alkyl ketones  P-bromophenols  Benzoyl derivatives  Nitroaromatic compounds  Bromobenzenes  Aryl bromides  Vinylogous acids  Organic oxoazanium compounds  Propargyl-type 1,3-dipolar organic compounds  Organobromides  Organonitrogen compounds  Hydrocarbon derivatives  Organopnictogen compounds  Organic oxides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Nitrophenol - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - 4-halophenol - 4-bromophenol - Aryl alkyl ketone - Bromobenzene - Halobenzene - Phenol - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de fusão (°C)131 °C
Peso molecular260.040 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass258.948 Da
Monoisotopic Mass258.948 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity252.000
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 soluções
Revisões

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