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Elementi costitutivi organici
4-Ethoxy-2,3-difluorobenzyl bromide - ≥95% , CAS No.181806-55-3

4-Ethoxy-2,3-difluorobenzyl bromide - ≥95% , CAS No.181806-55-3

Name: 4-Ethoxy-2,3-difluorobenzyl bromide - ≥95% , CAS No.181806-55-3
SKU: E1021086
Availability: InStock

CAS: 181806-55-3 Cat. No.: E1021086 Formula: C₉H₉BrF₂O Peso molecolare: 251.07 PubChem CID: 22913594

COA

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Disponibile su ordine

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

🧪

Why this grade

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

🌡

Storage & shipping

Room temperature Ships 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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici	CCOC1=C(C(=C(C=C1)CBr)F)F
IUPAC Name	1-(bromomethyl)-4-ethoxy-2,3-difluorobenzene
InChIKey	UDFOEUCJEQEAMK-UHFFFAOYSA-N
INCHI	1S/C9H9BrF2O/c1-2-13-7-4-3-6(5-10)8(11)9(7)12/h3-4H,2,5H2,1H3
Isomeri SMILES	CCOC1=C(C(=C(C=C1)CBr)F)F
PubChem CID	22913594
Peso molecolare	251.07

Documentazione

📋 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

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Benzyl halides

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzyl bromide - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl bromide - Organic oxygen compound - Alkyl halide - Organobromide - Organofluoride - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

Punto di fusione (°C)	58-61
Peso molecolare	251.070 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	249.98 Da
Monoisotopic Mass	249.98 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Recensioni

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