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(2E)-3-(4-bromophenyl)prop-2-en-1-ol - ≥95% , CAS No.105515-33-1

(2E)-3-(4-bromophenyl)prop-2-en-1-ol - ≥95% , CAS No.105515-33-1

Name: (2E)-3-(4-bromophenyl)prop-2-en-1-ol - ≥95% , CAS No.105515-33-1
SKU: E1362635
Availability: InStock

CAS: 105515-33-1 Cat. No.: E1362635 Fórmula: C₉H₉BrO Peso molecular: 213.08 Número EC: 848-515-7 PubChem CID: 11183465

COA

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Disponible para pedir

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1C=CCO)Br

IUPAC Name

(E)-3-(4-bromophenyl)prop-2-en-1-ol

InChIKey

DLEIRQMIYDUVBY-OWOJBTEDSA-N

INCHI

1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+

Isómeros SMILES

C1=CC(=CC=C1/C=C/CO)Br

PubChem CID

11183465

Peso molecular

213.08

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.

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📊 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 Phenylpropanoids and polyketides
  - Clase Cinnamyl alcohols

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Clase	Cinnamyl alcohols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamyl alcohols
Alternative Parents	Styrenes Bromobenzenes Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamyl alcohol - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organohalogen compound - Organobromide - Organooxygen compound - Primary alcohol - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Punto de fusión (°C)	68-70
Peso molecular	213.070 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	211.984 Da
Monoisotopic Mass	211.984 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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