Research chemical
Benzyl Bromide
CAS Number: 100-39-0
Product details
Identity & specification
- Molecular formula
- C7H7Br
- Molecular weight
- 171.03 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
7498
Exact Mass
169.97311
InChIKey
AGEZXYOZHKGVCM-UHFFFAOYSA-N
IUPAC Name
bromomethylbenzene
SMILES String
C1=CC=C(C=C1)CBr
Physical Properties
Melting Point
-4–-1.11
Water Solubility
1.99e+3 mol/L
Show more physical data
Refractive Index
1.5752
XLogP
2.9
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
8
H-bond acceptors
0
H-bond donors
0
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
0 Ų
Computed LogP
2.58
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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.
Catalog Facts
Structural features
Benzyl Bromide (CAS 100-39-0) is an English MolGraph catalog reference, molecular formula C7H7Br and molecular weight 171. 03 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, bioactivity screening workflows, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Thyrotropin receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Thyrotropin receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 8
Experimental evidence source: ChEMBL
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.
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 questions
What are the key identifiers for Benzyl Bromide (CAS 100-39-0)?
Benzyl Bromide is identified by CAS 100-39-0, with molecular formula C7H7Br, molecular weight 171.03, InChIKey AGEZXYOZHKGVCM-UHFFFAOYSA-N.
Does CAS 100-39-0 have reported biological target evidence?
ChEMBL contains qualifying experimental assay evidence associated with Thyrotropin receptor. These records do not establish therapeutic efficacy or clinical use.
Can I request a COA for CAS 100-39-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Benzyl Bromide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100-39-0 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.