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1-(Bromomethyl)-3-((trifluoromethyl)sulfanyl)benzene - ≥98% , CAS No.213203-84-0

1-(Bromomethyl)-3-((trifluoromethyl)sulfanyl)benzene - ≥98% , CAS No.213203-84-0

Name: 1-(Bromomethyl)-3-((trifluoromethyl)sulfanyl)benzene - ≥98% , CAS No.213203-84-0
Brand: Aladdin Scientific
SKU: B1070181
Availability: InStock

CAS: 213203-84-0 Cat. No.: B1070181 Molecular Weight: 271.1 EC Number: 805-066-1 PubChem CID: 2777880

COA

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1-(Bromomethyl)-3-((trifluoromethyl)sulfanyl)benzene - ≥98% CAS No(213203-84-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

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

≥98% 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

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

Canonical Smiles	C1=CC(=CC(=C1)SC(F)(F)F)CBr
IUPAC Name	1-(bromomethyl)-3-(trifluoromethylsulfanyl)benzene
InChIKey	MPZVFRHSCOOMNG-UHFFFAOYSA-N
INCHI	1S/C8H6BrF3S/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
Isomeric SMILES	C1=CC(=CC(=C1)SC(F)(F)F)CBr
PubChem CID	2777880
Molecular Weight	271.1

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

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 bromides
Alternative Parents	Thiophenol ethers Alkylarylthioethers Trihalomethanes Sulfenyl compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Benzyl bromide - Alkylarylthioether - Trihalomethane - Thioether - Sulfenyl compound - Halomethane - Alkyl bromide - Organosulfur compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	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

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	271.100 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	269.933 Da
Monoisotopic Mass	269.933 Da
Topological Polar Surface Area	25.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160.000
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

Solution Calculators

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Reviews

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