| Canonical Smiles | CC1=CC=C(C=C1)CBr |
|---|---|
| IUPAC Name | 1-(bromomethyl)-4-methylbenzene |
| InChIKey | WZRKSPFYXUXINF-UHFFFAOYSA-N |
| INCHI | 1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)CBr |
| WGK Germany | 3 |
| UN Number | 3417 |
| Molecular Weight | 185.06 |
| Beilstein | 507389 |
| Reaxy-Rn | 507389 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507389&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl bromides |
| Alternative Parents | Toluenes Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl bromide - Toluene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2206210 | Certificate of Analysis | Feb 04, 2026 | M109534 |
| H2206211 | Certificate of Analysis | Feb 04, 2026 | M109534 |
| F2506071 | Certificate of Analysis | Jun 11, 2025 | M109534 |
| D23031024 | Certificate of Analysis | Jan 13, 2025 | M109534 |
| D23031111 | Certificate of Analysis | Jan 13, 2025 | M109534 |
| D23031123 | Certificate of Analysis | Jan 13, 2025 | M109534 |
| H2126338 | Certificate of Analysis | Jun 05, 2023 | M109534 |
| H2126339 | Certificate of Analysis | Jun 05, 2023 | M109534 |
| H2126340 | Certificate of Analysis | Jun 05, 2023 | M109534 |
| H2126341 | Certificate of Analysis | Jun 05, 2023 | M109534 |
| G2417051 | Certificate of Analysis | Mar 21, 2023 | M109534 |
| H2206213 | Certificate of Analysis | Jul 18, 2022 | M109534 |
| Solubility | Insoluble in water. |
|---|---|
| Sensitivity | Light sensitive；Air sensitive |
| Freezing Point(°C) | 35 °C |
| Flash Point(°F) | 208.4 °F |
| Flash Point(°C) | 97 °C |
| Boil Point(°C) | 218-220°C |
| Melt Point(°C) | 33-37°C |
| Molecular Weight | 185.060 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 183.989 Da |
| Monoisotopic Mass | 183.989 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 72.600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yuan Liu, Binghui Xue, Yuyan Lai, Linkun Cai, Kun Chen, Panchao Yin. (2023) Microscopic mechanism of gas transport in mixed matrix membranes of coordination nanocages. JOURNAL OF MEMBRANE SCIENCE, [PMID:] [10.1016/j.memsci.2023.121821] |
| 2. Qiaohong Peng, Li Wei, Xiaoyan Zhang, Ying Wu, Khalid Mahmood, Zhengping Liu, Lisha Zhang. (2021) Direct polycondensation of l-lactic acid in hydrophobic bis(trifluoromethanesulfonyl)imide-anionic ionic liquids: A kinetic study. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2021.110692] |
| 3. Qing-Ling Cao, Wen-He Zhong, Jie-Yu Zhu, Cai-Hong Shi, Jia-Jia Zhao, Li-Zhuang Chen. (2025) High photoluminescence quantum yield modulation of zero-dimensional organic–inorganic Mn(II) metal halides by substituent modification. DALTON TRANSACTIONS, [PMID:41054807] [10.1039/D5DT01992C] |
