Research chemical
CAS Number: 1135283-49-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
36995488
Exact Mass
297.91202
InChIKey
XLXFMVBEEQECPA-UHFFFAOYSA-N
IUPAC Name
5-bromo-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILES String
Cc1nc(Cl)c(C#N)c(C(F)(F)F)c1Br
Appearance
Catalog navigation
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5-Bromo-2-chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile is identified by CAS 1135283-49-6, with molecular formula C8H3BrClF3N2, molecular weight 299.47, InChIKey XLXFMVBEEQECPA-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
white crystalline powder
Physical State
solid
Melting Point
155.0 °C
Boiling Point
310.0 °C
Density
1.7 g/cm³
Water Solubility
insoluble
Flash Point
200.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
450.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
15
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
0
Ring count
1
Aromatic rings
1
Topological polar surface area
36.68 Ų
Computed LogP
3.7
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.
Structural features
5-Bromo-2-chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile is a halogenated pyridine derivative featuring bromo, chloro, methyl, trifluoromethyl, and carbonitrile substituents. With a molecular formula of C8H3BrClF3N2 and a molecular weight of 299.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for use as a versatile chemical intermediate or building block in organic synthesis, particularly in the development of novel pyridine-containing molecules.
Documentation needs
Handle 5-Bromo-2-chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation.
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 RequestShipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request