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1-Bromo-4-(fluoromethyl)benzene , CAS No.459-49-4

1-Bromo-4-(fluoromethyl)benzene , CAS No.459-49-4

Name: 1-Bromo-4-(fluoromethyl)benzene , CAS No.459-49-4
Brand: Aladdin Scientific
SKU: B1055450
Availability: InStock

CAS: 459-49-4 Cat. No.: B1055450 Molecular Weight: 189.02 EC Number: 828-280-7 PubChem CID: 643180

COA

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1-Bromo-4-(fluoromethyl)benzene - CAS No(459-49-4) by Aladdin Scientific

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AVAILABLE TO ORDER

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Storage

Room temperature

Names and Identifiers

Canonical Smiles	C1=CC(=CC=C1CF)Br
IUPAC Name	1-bromo-4-(fluoromethyl)benzene
InChIKey	LFTYKVGDROWKQC-UHFFFAOYSA-N
INCHI	1S/C7H6BrF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
Isomeric SMILES	C1=CC(=CC=C1CF)Br
PubChem CID	643180
Molecular Weight	189.02

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.

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🔬 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
  - Class Benzene and substituted derivatives
    - Subclass Benzyl halides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl halides
Alternative Parents	Bromobenzenes Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl halide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl halides. These are organic compounds containing a benzene skeleton substituted with a halomethyl 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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.020 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.964 Da
Monoisotopic Mass	187.964 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77.000
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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Reviews

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