2-phenylbenzyl bromide (CAS 19853-09-9): Properties, Molar Dosing and a Sourcing Checklist
2-phenylbenzyl bromide (CAS 19853-09-9; InChIKey SEXZHJJUKFXNDY-UHFFFAOYSA-N) is a chemical raw material used in Industrial Chemicals, with formula C13H11Br and molecular weight 247.13 g/mol. This page lists database-verifiable properties, what those values imply for formulation and QC, and a specification checklist for Industrial Chemicals applications.
Key takeaways
- XLogP = 4.1 indicates lipophilic behaviour: poor aqueous dispersion requires a matched solvent, emulsifier or carrier, and direct addition to water risks precipitation or phase separation.
- TPSA Ų and H-bond donors / acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils.
- Molecular weight 247.13 g/mol: 1 mol = 247.13 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 246.00441 supports HRMS identification (add a proton for [M+H]+).
- InChIKey SEXZHJJUKFXNDY-UHFFFAOYSA-N is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups.
Published properties of 2-phenylbenzyl bromide (by CAS 19853-09-9)
| Property | Value |
|---|---|
| Molecular formula | C13H11Br |
| Molecular weight | 247.13 g/mol |
| Accurate mass | 246.00441 |
| IUPAC name | 1-(bromomethyl)-2-phenylbenzene |
| InChIKey | SEXZHJJUKFXNDY-UHFFFAOYSA-N |
| XLogP | 4.1 |
| Topological polar surface area | 0 Ų |
| H-bond donors / acceptors | 0 / 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
Computed values above: PubChem CID 263365; melting/boiling points, where shown, come from the site product page.
What the numbers mean in practice
| Aspect | Evidence and actionable conclusion |
|---|---|
| Solubility & compatibility | XLogP = 4.1 indicates lipophilic behaviour: poor aqueous dispersion requires a matched solvent, emulsifier or carrier, and direct addition to water risks precipitation or phase separation. |
| Molecular polarity | TPSA Ų and H-bond donors / acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils. |
| Dosing & analytical checks | Molecular weight 247.13 g/mol: 1 mol = 247.13 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 246.00441 supports HRMS identification (add a proton for [M+H]+). |
| Substance identity | InChIKey SEXZHJJUKFXNDY-UHFFFAOYSA-N is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups. |
| Crystallisation & incoming QC | 2 rotatable bonds: flexible molecules often crystallise slowly and form solvates. If caking or a broad melting range appears, check polymorph and residual solvent before rejecting the assay. |
Specification checklist for Industrial Chemicals use
| Check | Why it matters | How to verify |
|---|---|---|
| Batch baseline (CAS 19853-09-9) | Product-specific values to check line by line against the COA and specification; salts and hydrates differ | 分子量 247.13 g/mol; XLogP 4.1; InChIKey SEXZHJJUKFXNDY-UHFFFAOYSA-N |
| Specification & method | Assay basis can differ for the same name | State indices, test method and acceptance rules in the contract |
| Impurities & lot consistency | Trace impurities often explain performance differences | Request impurity profiles and recent COAs; compare key indices |
| Identity check | Same-name, salt-form and hydrate confusion causes dosing errors | Cross-check CAS and InChIKey; confirm by spectroscopy where needed |
| Packaging, storage & retest | Transit conditions change the state on arrival | Check SDS storage and retest date; retain and retest on arrival |
Frequently asked questions
What are the formula, molecular weight and identifiers of 2-phenylbenzyl bromide (CAS 19853-09-9)?
Formula C13H11Br, molecular weight 247.13 g/mol; accurate mass 246.00441. CAS 19853-09-9 resolves the substance across PubChem and ChemSpider; InChIKey SEXZHJJUKFXNDY-UHFFFAOYSA-N distinguishes same-name substances, salts and hydrates. Use the molecular weight for stoichiometric conversion; purity and grade follow the batch COA.
Is 2-phenylbenzyl bromide suitable for Industrial Chemicals applications, and what should be checked first?
Three checks: (1) the regulatory grade and production licence for the intended use; (2) impurity and safety indices plus test methods on the batch COA; (3) identity via CAS and substance identifiers to rule out hydrate/anhydrous or salt/free-form mix-ups. With limited published property data, determine solubility and addition method by bench testing rather than inference from related materials.
How is the dosage of 2-phenylbenzyl bromide calculated from molecular weight?
At 247.13 g/mol, 1 mol = 247.13 g. Blending, substitution and neutralisation should be calculated on molar equivalence, not by substituting mass parts of a related material. For hydrates or salts, adjust for active content and water of crystallisation from the COA.
What incoming-QC tests apply to 2-phenylbenzyl bromide on arrival?
At minimum: match the COA lot to the goods; retest assay and loss on drying / water; confirm identity via InChIKey SEXZHJJUKFXNDY-UHFFFAOYSA-N or spectroscopy; retain a sample with opening conditions logged. Caking, colour shift or a broad melting range should trigger polymorph and residual-solvent checks.
Related materials
- 2 1 1 2 2 tetrafluoroethoxy benzoic acid（CAS 10008-97-6）：shares the 'benz' parent fragment — compare formula and molecular weight to identify salt, ester or hydrate form
- 2 1 1 2 2 tetrafluoroethyl benzimidazole（CAS 41185-74-4）：shares the 'ylbenz' core; before substituting, check the CAS and molecular-weight gap, as salt formation adds a counter-ion
- 2 1 1 2 3 3 3 hexafluoropropoxy benzenamine（CAS 41242-02-8）：belongs to the same 'benz' series — confirm it is the same CAS; salt and free-form assays are not interchangeable by mass
- 2 1 1 2 2 3 3 hexafluoro 3 5 phenyl 1 3 4 oxadiazol 2 yl pro（CAS 5086-79-3）：shares the 'phenyl' parent fragment — compare formula and molecular weight to identify salt, ester or hydrate form
- 2 1 1 3 trifluoromethyl phenyl propan 2 yl 2 piperidyl ethan（CAS 73758-31-3）：shares the 'phenyl' core; before substituting, check the CAS and molecular-weight gap, as salt formation adds a counter-ion
- 2 1 1 2 2 tetrafluoroethoxymethyl oxirane（CAS 85567-21-1）：CAS 85567-21-1: when used in Industrial Chemicals formulations, confirm addition order by a bench test before dosing
For side-by-side comparison see site search for 2-phenylbenzyl bromide, or browse the Organic Chemicals directory.
Supply & compliance
Jinan Shenghe Chemical Co., Ltd. supplies industrial and fine chemicals. When enquiring, state the product name, CAS, target grade and packaging; COA, SDS and technical data sheets are available with the shipment. Contact: info@chemsp.cn | +86-18553102138. This page is technical information for industrial raw materials; regulated food, feed, cosmetic or pharmaceutical uses require the corresponding grade and compliance with local rules.
Data sources
Source: PubChem computed properties, CID 263365 (https://pubchem.ncbi.nlm.nih.gov/compound/263365), accessed 2026-11-15; melting/boiling points, where shown, come from the site product page. Hydrates and salts carry different values — verify by CAS and InChIKey.
Related Products
- 2 1 1 2 2 tetrafluoroethoxy benzoic acid (CAS 10008-97-6)
- 2 1 1 2 2 tetrafluoroethyl benzimidazole (CAS 41185-74-4)
- 2 1 1 2 3 3 3 hexafluoropropoxy benzenamine (CAS 41242-02-8)
- 2 1 1 2 2 3 3 hexafluoro 3 5 phenyl 1 3 4 oxadiazol 2 yl pro (CAS 5086-79-3)
- 2 1 1 3 trifluoromethyl phenyl propan 2 yl 2 piperidyl ethan (CAS 73758-31-3)
- 2 1 1 2 2 tetrafluoroethoxymethyl oxirane (CAS 85567-21-1)