4-Methylbenzyl bromide
4-Methylbenzyl bromide structure
|
Common Name | 4-Methylbenzyl bromide | ||
|---|---|---|---|---|
| CAS Number | 104-81-4 | Molecular Weight | 185.061 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 225.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C8H9Br | Melting Point | 34-36 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 97.8±0.0 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Methylbenzyl Bromide |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 225.0±0.0 °C at 760 mmHg |
| Melting Point | 34-36 °C(lit.) |
| Molecular Formula | C8H9Br |
| Molecular Weight | 185.061 |
| Flash Point | 97.8±0.0 °C |
| Exact Mass | 183.988754 |
| LogP | 3.38 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.560 |
| InChIKey | WZRKSPFYXUXINF-UHFFFAOYSA-N |
| SMILES | Cc1ccc(CBr)cc1 |
| Storage condition | 2-8°C |
| Water Solubility | practically insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R20/21/22;R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 3417 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | CY9039300 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2903999090 |
|---|---|
| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Solid-phase synthesis of C-terminal azapeptides.
J. Pept. Sci. 21 , 387-91, (2015) The solid-phase synthesis of azapeptides possessing a C-terminal aza-residue has been accomplished by a protocol featuring regioselective alkylation of benzhydrylidene-aza-glycinamide and illustrated ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| alpha-Bromo-p-xylene |
| MFCD00000181 |
| E1R D1 |
| 4-(Bromomethyl)toluene |
| 4-Methylbenzyl bromide |
| EINECS 203-240-6 |
| α-Bromo-p-xylene |
| 1-(Bromomethyl)-4-methylbenzene |
| α-Bromo-p-xylol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-Methylbenzyl Bromide? |
| A: SMILES notation of 4-Methylbenzyl Bromide is Cc1ccc(CBr)cc1. |
| Q: What English synonyms does 4-Methylbenzyl Bromide have? |
| A: English synonyms of 4-Methylbenzyl Bromide: alpha-Bromo-p-xylene, MFCD00000181, E1R D1, 4-(Bromomethyl)toluene, 4-Methylbenzyl bromide, EINECS 203-240-6, α-Bromo-p-xylene, 1-(Bromomethyl)-4-methylbenzene, α-Bromo-p-xylol. |
| Q: What is the safety information for 4-Methylbenzyl Bromide? |
| A: Safety information for 4-Methylbenzyl Bromide: S26-S36/37/39-S45. |
| Q: What is the molecular weight of 4-Methylbenzyl Bromide? |
| A: Molecular weight of 4-Methylbenzyl Bromide is 185.061. |
| Q: What is the melting point of 4-Methylbenzyl Bromide? |
| A: Melting point of 4-Methylbenzyl Bromide is 34-36 °C(lit.). |
| Q: What is the boiling point of 4-Methylbenzyl Bromide? |
| A: Boiling point of 4-Methylbenzyl Bromide is 225.0±0.0 °C at 760 mmHg. |
| Q: How is the water solubility of 4-Methylbenzyl Bromide? |
| A: Water solubility of 4-Methylbenzyl Bromide: practically insoluble. |
| Q: What are the storage conditions for 4-Methylbenzyl Bromide? |
| A: Storage conditions for 4-Methylbenzyl Bromide: 2-8°C. |
| Q: What is the InChIKey of 4-Methylbenzyl Bromide? |
| A: InChIKey of 4-Methylbenzyl Bromide is WZRKSPFYXUXINF-UHFFFAOYSA-N. |
| Q: What is the English name of 4-Methylbenzyl Bromide? |
| A: The English name of 4-Methylbenzyl Bromide is 4-Methylbenzyl Bromide. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |