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4-Bromo-2-propoxybenzoic acid - ≥98% , CAS No.269731-55-7

4-Bromo-2-propoxybenzoic acid - ≥98% , CAS No.269731-55-7

Name: 4-Bromo-2-propoxybenzoic acid - ≥98% , CAS No.269731-55-7
SKU: B1047488
Availability: InStock

CAS: 269731-55-7 Cat. No.: B1047488 Formula: C₁₀H₁₁BrO₃ Peso molecolare: 259.1 PubChem CID: 12121943

COA

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Disponibile su ordine

GRADE & PURITY ≥98%

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

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Why this grade

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

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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

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCCOC1=C(C=CC(=C1)Br)C(=O)O

IUPAC Name

4-bromo-2-propoxybenzoic acid

InChIKey

RDOBBDKYPTZFCM-UHFFFAOYSA-N

INCHI

1S/C10H11BrO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)

Isomeri SMILES

CCCOC1=C(C=CC(=C1)Br)C(=O)O

PubChem CID

12121943

Peso molecolare

259.1

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 Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	4-halobenzoic acids Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
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

Peso molecolare	259.100 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.989 Da
Monoisotopic Mass	257.989 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196.000
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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