Research chemical
3-Methoxy-4-(trifluoromethyl)phenylboronic acid
CAS Number: 1004775-33-0
Product details
Identity & specification
- Molecular formula
- C8H8BF3O3
- Molecular weight
- 219.96 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
54758888
Exact Mass
220.051859
InChIKey
UHOZSZGYFBEVBA-UHFFFAOYSA-N
IUPAC Name
[3-methoxy-4-(trifluoromethyl)phenyl]boronic acid
SMILES String
COc1cc(B(O)O)ccc1C(F)(F)F
Physical Properties
No physical property values available.
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
15
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
2
Ring count
1
Aromatic rings
1
Topological polar surface area
49.69 Ų
Computed LogP
0.39
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
boronic acid or boronate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
Yes
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
3-Methoxy-4-(trifluoromethyl)phenylboronic acid (CAS 1004775-33-0) is listed in the Research Chemicals portfolio, with molecular formula C8H8BF3O3 and molecular weight 219. 96 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for laboratory research workflows; structure-derived tags include boronic-acid-related structure.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Applications & Classification
Safety & Handling
Handling & Storage
- Store in a well-ventilated area.
PPE
First Aid
- If inhaled, move the patient to fresh air.
- If breathing stops, perform artificial respiration.
Stability / Reactivity
- and reaction activity.
- carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride.
Show additional safety reference fields
Fire Fighting
- Use self-contained breathing apparatus if necessary.
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
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 RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement 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 1004775-33-0 in stock?
3-Methoxy-4-(trifluoromethyl)phenylboronic 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 1004775-33-0?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.