Cas no 145682-85-5 (Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester)
Benzeneacetic acid, 2,3,4,5,6-pentafluoro-, methyl ester is a fluorinated aromatic ester with notable chemical stability and reactivity due to its pentafluoro substitution. The electron-withdrawing nature of the fluorine atoms enhances its suitability as an intermediate in nucleophilic aromatic substitution reactions, facilitating the synthesis of complex fluorinated compounds. Its methyl ester group provides additional versatility in organic synthesis, enabling further functionalization under mild conditions. This compound is particularly valuable in pharmaceutical and agrochemical research, where fluorinated motifs are often sought for their metabolic stability and bioactivity. High purity and well-defined reactivity make it a reliable reagent for specialized synthetic applications.
145682-85-5 structure
Product Name:Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester
CAS No:145682-85-5
MF:C9H5F5O2
MW:240.126820325851
CID:101513
PubChem ID:24858222
Update Time:2025-06-27
Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester
- methyl 2-(2,3,4,5,6-pentafluorophenyl)acetate
- Methyl 2,3,4,5,6-Pentafluorophenylacetate
- AC1MSPLD
- ACMC-20akj6
- AG-D-89691
- CTK4C4646
- FT-0643382
- Pentafluorophenylacetic acid methyl ester
- Methyl 2,3,4,5,6-pentafluorophenyl acetate,99%
- Methyl 2,3,4,5,6-pentafluorophenylacetate, 99%
- SCHEMBL5007047
- DTXSID60393667
- methyl 2-(perfluorophenyl)acetate
- J-008136
- 145682-85-5
- AKOS024370864
- Benzeneacetic acid, 2,3,4,5,6-pentafluoro-, methyl ester
- DB-042796
-
- MDL： MFCD00012230
- Inchi： 1S/C9H5F5O2/c1-16-4(15)2-3-5(10)7(12)9(14)8(13)6(3)11/h2H2,1H3
- InChI Key： YCVCFIRVQLAKBA-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1CC(=O)OC)F)F)F)F
Computed Properties
- Exact Mass: 240.02095
- Monoisotopic Mass: 240.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 246
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: colorless liquid
- Density: 1.47?g/mL?at 25?°C(lit.)
- Melting Point: Not available
- Boiling Point: 192.2±35.0 °C at 760 mmHg
- Flash Point: Degrees Fahrenheit:195.8°F
Degrees Celsius:91°C - Refractive Index: n20/D 1.43(lit.)
- PSA: 26.3
- Solubility: Not determined
- Vapor Pressure: 0.5±0.4 mmHg at 25°C
Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： 26-36/37/39
-
Hazardous Material Identification：
- Risk Phrases：36/37/38
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA03427-1g |
Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester |
145682-85-5 | 1g |
￥1718.0 | 2021-09-03 | ||
| A2B Chem LLC | AA63679-1g |
Methyl 2,3,4,5,6-pentafluorophenylacetate |
145682-85-5 | 97% | 1g |
$1205.00 | 2024-04-20 | |
| A2B Chem LLC | AA63679-5g |
Methyl 2,3,4,5,6-pentafluorophenylacetate |
145682-85-5 | 97% | 5g |
$2831.00 | 2024-04-20 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-228507-1g |
Methyl 2,3,4,5,6-pentafluorophenylacetate, |
145682-85-5 | 1g |
￥805.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-228507-1 g |
Methyl 2,3,4,5,6-pentafluorophenylacetate, |
145682-85-5 | 1g |
￥805.00 | 2023-07-11 |
Benzeneacetic acid,2,3,4,5,6-pentafluoro-, methyl ester Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
-
Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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