Benzyl Bromide
TL;DR: Benzyl Bromide (CAS 100-39-0) is a chemical compound with molecular formula C7H7Br and molecular weight 169.97311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bromomethylbenzene
Also Known As: BENZYL BROMIDE, alpha-Bromotoluene, (Bromomethyl)benzene, bromomethylbenzene, Bromophenylmethane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7Br |
| Molecular Weight | 169.97311 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.97311 Da |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Purity | 98% |
| Melting Point | 27 to 30 °F (NTP, 1992) |
| Boiling Point | 388 to 390 °F at 760 mmHg (NTP, 1992) |
| Density | 1.441 at 71.6 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 188 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 90 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5752 at 20 °C/D |
| Solubility | Reaction (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)CBr |
| InChIKey | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
Product Description
Applications: Benzyl Bromide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at 98%. CoreyChem supplies Benzyl Bromide (CAS 100-39-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzyl Bromide is a heterocyclic building block identified by CAS number 100-39-0 and the molecular formula C7H7Br and a molecular weight of 169.97 g/mol. Physically, the compound has a density of 1.441 at 71.6 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Reaction (NTP, 1992). It is also known as BENZYL BROMIDE and alpha-Bromotoluene.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H315, H319, H335
Chemical Property Profile of Benzyl Bromide
Property Insights of Benzyl Bromide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl Bromide. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyl Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl Bromide has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl Bromide?
The CAS number of Benzyl Bromide is 100-39-0.
What is the molecular formula of Benzyl Bromide?
The molecular formula of Benzyl Bromide is C7H7Br.
What is the molecular weight of Benzyl Bromide?
The molecular weight of Benzyl Bromide is 169.97311 g/mol.
What are the applications of Benzyl Bromide?
Benzyl Bromide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at...
Where can I buy Benzyl Bromide?
You can request a quote for Benzyl Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl Bromide?
Yes, CoreyChem provides custom synthesis services for Benzyl Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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