Research chemical
CAS Number: 116087-14-0
![1-[Bromo(phenyl)methyl]-2-methylbenzene molecular structure, CAS 116087-14-0](/structure-images/116087-14-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
12875470
Exact Mass
260.02006
InChIKey
CDVGBAUAPNIFPX-UHFFFAOYSA-N
SMILES String
Cc1ccccc1C(Br)c1ccccc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1-[Bromo(phenyl)methyl]-2-methylbenzene is identified by CAS 116087-14-0, with molecular formula C14H13Br, molecular weight 261.16, InChIKey CDVGBAUAPNIFPX-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.
Heavy atom count
15
H-bond acceptors
0
H-bond donors
0
Rotatable bonds
2
Ring count
2
Aromatic rings
2
Topological polar surface area
0 Ų
Computed LogP
4.48
Fragment-like structure rule
Yes
Lead-like structure rule
No
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.
Structural features
1-[Bromo(phenyl)methyl]-2-methylbenzene (CAS 116087-14-0) is maintained as a commercial cas reference with formula C14H13Br, molecular weight 261. 16 g/mol, PubChem CID 12875470.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include fragment-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Danger; hazard codes: H314, H335; for research use only.
Safety and handling reference content is available through documentation requests.
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 Request