2-Bromo-5-(trifluoromethoxy)benzaldehyde - ≥96% , CAS No.505084-61-7

CAS: 505084-61-7 Cat. No.: B589294 Molecular Weight: 269.02 EC Number: 637-128-7
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
EN300-193559 | LSMYXQXITTZTHX-UHFFFAOYSA-N | DTXSID00382570 | CL9627 | AKOS016846152 | AS-46435 | 2-Bromo-5-(trifluoromethoxy)benzaldehyde, AldrichCPR | 2-Bromo-5-(trifluoromethoxy)benzaldehyde 95% | MFCD07368722 | 2-bromo-5-(trifluoromethoxy)benzaldehyde
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B589294-100mg
3

$35.90

$53.90
Save $18.00 (33.40%)
250mg
B589294-250mg
3

$49.90

$74.90
Save $25.00 (33.38%)
1g
B589294-1g
3

$99.90

$149.90
Save $50.00 (33.36%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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

Synonyms
EN300-193559 | LSMYXQXITTZTHX-UHFFFAOYSA-N | DTXSID00382570 | CL9627 | AKOS016846152 | AS-46435 | 2-Bromo-5-(trifluoromethoxy)benzaldehyde, AldrichCPR | 2-Bromo-5-(trifluoromethoxy)benzaldehyde 95% | MFCD07368722 | 2-bromo-5-(trifluoromethoxy)benzaldehyde
Specifications & Purity
≥96%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Canonical SmilesC1=CC(=C(C=C1OC(F)(F)F)C=O)Br
IUPAC Name2-bromo-5-(trifluoromethoxy)benzaldehyde
InChIKeyLSMYXQXITTZTHX-UHFFFAOYSA-N
INCHI1S/C8H4BrF3O2/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-4H
Isomeric SMILES C1=CC(=C(C=C1OC(F)(F)F)C=O)Br
Molecular Weight 269.02
Reaxy-Rn 9192127
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9192127&ln=

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

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Benzoyl derivatives  Benzaldehydes  Bromobenzenes  Aryl bromides  Vinylogous halides  Trihalomethanes  Organofluorides  Organobromides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Trihalomethane - Aldehyde - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
L2301080Certificate of AnalysisNov 14, 2023 B589294
L2301085Certificate of AnalysisNov 14, 2023 B589294
L2301087Certificate of AnalysisNov 14, 2023 B589294
L2301089Certificate of AnalysisNov 14, 2023 B589294
L2301090Certificate of AnalysisNov 14, 2023 B589294
L2301092Certificate of AnalysisNov 14, 2023 B589294
Chemical and Physical Properties
Sensitivityair sensitive
Molecular Weight269.010 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass267.935 Da
Monoisotopic Mass267.935 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity207.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.