Research chemical
1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid
CAS Number: 2567984-73-8
![1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid molecular structure, CAS 2567984-73-8](/structure-images/2567984-73-8.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C18H15F3N2O3
- Molecular weight
- 364.3 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
164940350
Exact Mass
364.103477
InChIKey
HKJPXOMUTAYXSA-UHFFFAOYSA-N
IUPAC Name
3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxylic acid
SMILES String
CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)O)cc21
Physical Properties
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
175.0 °C
Boiling Point
450.0 °C
Density
1.4 g/cm³
Water Solubility
Sparingly soluble
Flash Point
280.0 °C
Show more physical data
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
380.0 °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
26
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
4
Ring count
3
Aromatic rings
3
Topological polar surface area
75.35 Ų
Computed LogP
3.55
Fragment-like structure rule
No
Lead-like structure rule
No
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
This compound is a complex organic molecule featuring a benzimidazole core, an ethyl group, a trifluoro-hydroxy-phenylethyl substituent, and a carboxylic acid group.
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 chemical building block or a lead compound in synthetic organic chemistry, medicinal chemistry, and drug discovery research.
Documentation needs
Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes.
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 questions
What are the key identifiers for 1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid (CAS 2567984-73-8)?
1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid is identified by CAS 2567984-73-8, with molecular formula C18H15F3N2O3, molecular weight 364.3, InChIKey HKJPXOMUTAYXSA-UHFFFAOYSA-N.
Can I request a COA for CAS 2567984-73-8?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 2567984-73-8 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.