Research chemical
2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid
CAS Number: 180134-15-0
Product details
Identity & specification
- Molecular formula
- C10H6F6O3
- Molecular weight
- 288.14 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
2741287
Exact Mass
288.022113
InChIKey
IIWWKGJYKXFWRG-UHFFFAOYSA-N
SMILES String
COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)O
Physical Properties
Appearance
white crystalline solid
Physical State
solid
Melting Point
150.0 °C
Boiling Point
300.0 °C
Density
1.48 g/cm³
Water Solubility
6.31E-4 mol/L
Flash Point
85.8 °C
Show more physical data
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
410.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
19
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
2
Ring count
1
Aromatic rings
1
Topological polar surface area
46.53 Ų
Computed LogP
3.43
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid is a fluorinated benzoic acid derivative, primarily utilized as a research chemical and synthetic building block.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is intended for research use only (RUO) as a versatile synthetic intermediate in organic chemistry, especially in the preparation of fluorinated aromatic compounds.
Documentation needs
Handle 2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact.
Applications & Classification
Safety & Handling
Handling & Storage
- Keep container tightly closed and dry.
- Store in a well-ventilated place.
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Show additional safety reference fields
Fire Fighting
- If necessary, wear a self-contained breathing apparatus for firefighting.
Accidental Release
- Use personal protective equipment and emergency procedures.
- Avoid dust generation.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestProcurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 180134-15-0 in stock?
2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 180134-15-0?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.