Cas no 916420-55-8 (3-Methyl-5-(trifluoromethoxy)benzyl Bromide)
3-Methyl-5-(trifluoromethoxy)benzyl bromide is a versatile benzyl bromide derivative featuring a trifluoromethoxy substituent at the 5-position and a methyl group at the 3-position of the benzene ring. This compound is particularly valuable in organic synthesis as an alkylating agent, enabling the introduction of the 3-methyl-5-(trifluoromethoxy)benzyl moiety into target molecules. The presence of the electron-withdrawing trifluoromethoxy group enhances reactivity, making it useful in nucleophilic substitution reactions. Its stability under standard conditions ensures reliable handling and storage. This reagent is commonly employed in pharmaceutical and agrochemical research, where its structural motifs contribute to the development of bioactive compounds with improved metabolic stability and lipophilicity.
916420-55-8 structure
Product Name:3-Methyl-5-(trifluoromethoxy)benzyl Bromide
CAS No:916420-55-8
MF:C9H8BrF3O
MW:269.058432579041
MDL:MFCD08741403
CID:1970387
PubChem ID:26985614
Update Time:2025-06-07
3-Methyl-5-(trifluoromethoxy)benzyl Bromide Chemical and Physical Properties
Names and Identifiers
-
- 1-(bromomethyl)-3-methyl-5-(trifluoromethoxy)benzene
- 3-(Bromomethyl)-5-(trifluoromethoxy)toluene
- 3-METHYL-5-(TRIFLUOROMETHOXY)BENZYL BROMIDE
- PS-9912
- SCHEMBL18549862
- 1-(Bromomethyl)-3-methyl-5-(trifluoromethoxy)benzene, 3-(Bromomethyl)-5-methylphenyl trifluoromethyl ether
- WRJCQRHFOGJLLM-UHFFFAOYSA-N
- 916420-55-8
- Benzene, 1-(bromomethyl)-3-methyl-5-(trifluoromethoxy)-
- AKOS015956822
- 3-Methyl-5-(trifluoromethoxy)benzylbromide
- DTXSID901206650
- MFCD08741403
- 3-Methyl-5-(trifluoromethoxy)benzyl Bromide
-
- MDL： MFCD08741403
- Inchi： 1S/C9H8BrF3O/c1-6-2-7(5-10)4-8(3-6)14-9(11,12)13/h2-4H,5H2,1H3
- InChI Key： WRJCQRHFOGJLLM-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C=C(C)C=1)OC(F)(F)F
Computed Properties
- Exact Mass: 267.97106Da
- Monoisotopic Mass: 267.97106Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 227.7±35.0 °C at 760 mmHg
- Flash Point: 113.9±10.2 °C
- Vapor Pressure: 0.1±0.4 mmHg at 25°C
3-Methyl-5-(trifluoromethoxy)benzyl Bromide Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Methyl-5-(trifluoromethoxy)benzyl Bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M337728-50mg |
3-Methyl-5-(trifluoromethoxy)benzyl Bromide |
916420-55-8 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M337728-100mg |
3-Methyl-5-(trifluoromethoxy)benzyl Bromide |
916420-55-8 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M337728-500mg |
3-Methyl-5-(trifluoromethoxy)benzyl Bromide |
916420-55-8 | 500mg |
$ 185.00 | 2022-06-03 | ||
| abcr | AB230775-1 g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide; . |
916420-55-8 | 1g |
€125.40 | 2023-04-27 | ||
| abcr | AB230775-5 g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide; . |
916420-55-8 | 5g |
€296.30 | 2023-04-27 | ||
| Alichem | A013004036-1g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide |
916420-55-8 | 97% | 1g |
$1490.00 | 2023-08-31 | |
| Apollo Scientific | PC3604-1g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide |
916420-55-8 | 98% | 1g |
￡48.00 | 2025-02-21 | |
| Apollo Scientific | PC3604-5g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide |
916420-55-8 | 98% | 5g |
￡144.00 | 2025-02-21 | |
| abcr | AB230775-1g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide; . |
916420-55-8 | 1g |
€125.30 | 2025-04-15 | ||
| abcr | AB230775-5g |
3-Methyl-5-(trifluoromethoxy)benzyl bromide; . |
916420-55-8 | 5g |
€295.80 | 2025-04-15 |
3-Methyl-5-(trifluoromethoxy)benzyl Bromide Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
-
Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
-
Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
916420-55-8 (3-Methyl-5-(trifluoromethoxy)benzyl Bromide) Related Products
- 261951-95-5(2-Methyl-4-(trifluoromethoxy)benzyl Bromide)
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- 1261573-60-7(2-Methyl-5-(trifluoromethoxy)benzyl bromide)
- 3447-53-8(1-(bromomethyl)-4-(difluoromethoxy)benzene)
- 50824-05-0(4-(Trifluoromethoxy)benzyl bromide)
- 478484-53-6(2-METHOXY-5-(TRIFLUOROMETHOXY)BENZYL BROMIDE)
- 159689-88-0(3-(Bromomethyl)trifluoromethoxybenzene)
- 198649-68-2(1-(Bromomethyl)-2-(trifluoromethoxy)benzene)
- 705-44-2(1-Methyl-3-(trifluoromethoxy)benzene)
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