Cas no 58808-59-6 (4-(trifluoroacetyl)benzoic acid)
58808-59-6 structure
Product Name:4-(trifluoroacetyl)benzoic acid
CAS No:58808-59-6
MF:C9H5F3O3
MW:218.129413366318
MDL:MFCD00052340
CID:90001
PubChem ID:329764401
Update Time:2025-04-18
4-(trifluoroacetyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(trifluoroacetyl)benzoic acid
- 4-Carboxy-alpha,alpha,alpha-trifluoroacetophenone
- 4-(2,2,2-Trifluoroacetyl)benzoic acid
- p-(Trifluoroacetyl)benzoic acid
- { "\"0\"": "p-(Trifluoroacetyl)benzoic acid" }
- InChI=1/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15
- 4-(Trifluoroacetyl)benzoic acid, AldrichCPR
- PS-6795
- AKOS000441953
- 58808-59-6
- A832028
- METHYL5-BROMOPYRAZINE-2-CARBOXYLATE
- 1-(4-Carboxyphenyl)-2,2,2-trifluoroethan-1-one
- CS-0112725
- FT-0616866
- 4-trifluoroacetylbenzoic acid
- 4-(2,2,2-Trifluoro-acetyl)-benzoic acid
- MFCD00052340
- CHEMBL315715
- Benzoic acid, 4-(trifluoroacetyl)-
- DTXSID30207540
- SCHEMBL1421656
- 4-(Trifluoroacetyl)benzoic acid, >=97.0% (HPLC)
- 4-(2,2,2-trifluoroacetyl)benzoicacid
- STL383182
- BBL100002
-
- MDL： MFCD00052340
- Inchi： 1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15)
- InChI Key： WLTZCRCZDLLXQP-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC(C(=O)O)=CC=1)=O)(F)F
- BRN： 2728778
Computed Properties
- Exact Mass: 218.01900
- Monoisotopic Mass: 218.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 264
- 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: nothing
- Topological Polar Surface Area: 54.4A^2
Experimental Properties
- Color/Form: White solid
- Density: 1.5±0.1 g/cm3
- Melting Point: 176 oC
- Boiling Point: 313.5±42.0 °C at 760 mmHg
- Flash Point: 143.4±27.9 °C
- Refractive Index: 1.494
- PSA: 54.37000
- LogP: 2.12980
- Sensitiveness: Hygroscopic
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
4-(trifluoroacetyl)benzoic acid Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36
-
Hazardous Material Identification：
- Safety Term：S26;S36
- HazardClass：IRRITANT
- Risk Phrases：R36/37/38
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(trifluoroacetyl)benzoic acid Customs Data
- HS CODE：2918300090
- Customs Data：
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
4-(trifluoroacetyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 007472-1g |
4-(Trifluoroacetyl)benzoic acid |
58808-59-6 | 98% | 1g |
￡50.00 | 2022-03-01 | |
| Fluorochem | 007472-100g |
4-(Trifluoroacetyl)benzoic acid |
58808-59-6 | 98% | 100g |
￡1876.00 | 2022-03-01 | |
| Alichem | A019093025-5g |
4-(2,2,2-Trifluoroacetyl)benzoic acid |
58808-59-6 | 95% | 5g |
$321.75 | 2023-09-01 | |
| Alichem | A019093025-25g |
4-(2,2,2-Trifluoroacetyl)benzoic acid |
58808-59-6 | 95% | 25g |
$528.22 | 2023-09-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 005141-1g |
4-(Trifluoroacetyl)benzoic acid |
58808-59-6 | 98% | 1g |
925.0CNY | 2021-07-05 | |
| Chemenu | CM157945-5g |
4-(Trifluoroacetyl)benzoic acid |
58808-59-6 | 95% | 5g |
$304 | 2021-06-17 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA04056-1g |
4-(2,2,2-Trifluoroacetyl)benzoic acid |
58808-59-6 | ≥97.0% (HPLC) | 1g |
￥1138.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA04056-5g |
4-(2,2,2-Trifluoroacetyl)benzoic acid |
58808-59-6 | ≥97.0% (HPLC) | 5g |
￥3778.0 | 2024-07-18 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 728470-1G |
4-(trifluoroacetyl)benzoic acid |
58808-59-6 | ≥97.0% (HPLC) | 1G |
￥767.41 | 2022-02-24 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 728470-5G |
4-(trifluoroacetyl)benzoic acid |
58808-59-6 | ≥97.0% (HPLC) | 5G |
￥2545.53 | 2022-02-24 |
4-(trifluoroacetyl)benzoic acid Related Literature
-
Silvia Rodríguez-Nuévalos,Margarita Parra,Salvador Gil,Pablo Gavi?a,Pau Arroyo,José A. Sáez,Ana M. Costero Analyst 2021 146 5601
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