Research chemical
5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CAS Number: 2287273-03-2
Product details
Identity & specification
- Molecular formula
- C7H4F3N3O2
- Molecular weight
- 219.12 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
137943490
Exact Mass
219.025561
InChIKey
YVOGZEYUHMXRKW-UHFFFAOYSA-N
SMILES String
Cn1nc(C(F)(F)F)c(C(=O)O)c1C#N
Physical Properties
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
180.0 °C
Boiling Point
350.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
220.0 °C
Show more physical data
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
450.0 °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
15
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
78.91 Ų
Computed LogP
1.01
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is a trifluoromethylated pyrazole derivative featuring a cyano group and a carboxylic acid moiety. With a molecular formula of C7H4F3N3O2 and a molecular weight of 219.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is primarily used in organic synthesis as a versatile building block.
Documentation needs
Handle 5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid in a well-ventilated area, preferably under a fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
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 2287273-03-2 in stock?
5-Cyano-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic 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 2287273-03-2?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.