Cas no 58656-99-8 (tert-Butyl 3-nitrobenzoate)
tert-Butyl 3-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- tert-Butyl 3-nitrobenzoate
- 3-nitro-benzoic acid tert-butyl ester
- Benzoic acid, 3-nitro-,1,1-dimethylethyl ester
- 3-Nitro-benzoesaeure-tert-butylester
- 3-nitro-benzoic acid t-butyl ester
- 3-nitrobenzoic acid tert-butyl ester
- AB1298
- t-butyl 3-nitrobenzoate
- t-Butyl-m-nitrobenzoat
- DTXSID10474798
- FT-0653924
- SCHEMBL4746148
- 3-Nitrobenzoic acid t-butyl ester
- MFCD02091504
- A831968
- 58656-99-8
- BS-28928
- Benzoic acid,3-nitro-,1,1-dimethylethyl ester
- tert-Butyl3-nitrobenzoate
- SB37803
- AKOS013210625
- SFFFYEGVQDWTNQ-UHFFFAOYSA-N
- J-650259
- CS-0205235
- DB-372063
-
- MDL： MFCD02091504
- Inchi： 1S/C11H13NO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7H,1-3H3
- InChI Key： SFFFYEGVQDWTNQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)[N+](=O)[O-])=O)C(C)(C)C
Computed Properties
- Exact Mass: 223.08400
- Monoisotopic Mass: 223.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 277
- 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: 2.9
- Topological Polar Surface Area: 72.1A^2
Experimental Properties
- Density: 1.201
- Boiling Point: 440 °C at 760 mmHg
- Flash Point: 219.9 °C
- Refractive Index: 1.531
- PSA: 72.12000
- LogP: 3.07330
tert-Butyl 3-nitrobenzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
tert-Butyl 3-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B700118-10mg |
tert-Butyl 3-Nitrobenzoate |
58656-99-8 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B700118-50mg |
tert-Butyl 3-Nitrobenzoate |
58656-99-8 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B700118-100mg |
tert-Butyl 3-Nitrobenzoate |
58656-99-8 | 100mg |
$ 80.00 | 2022-06-06 | ||
| Alichem | A019097905-25g |
tert-Butyl 3-nitrobenzoate |
58656-99-8 | 95% | 25g |
$810.60 | 2023-09-01 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0274-1g |
3-Nitro-benzoic acid tert-butyl ester |
58656-99-8 | 96% | 1g |
1679.12CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0274-5g |
3-Nitro-benzoic acid tert-butyl ester |
58656-99-8 | 96% | 5g |
5071.29CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0274-25g |
3-Nitro-benzoic acid tert-butyl ester |
58656-99-8 | 96% | 25g |
16943.89CNY | 2021-05-08 | |
| abcr | AB313910-1 g |
tert-Butyl 3-nitrobenzoate, 95%; . |
58656-99-8 | 95% | 1 g |
€120.20 | 2023-07-19 | |
| abcr | AB313910-5 g |
tert-Butyl 3-nitrobenzoate, 95%; . |
58656-99-8 | 95% | 5 g |
€276.60 | 2023-07-19 | |
| abcr | AB313910-25 g |
tert-Butyl 3-nitrobenzoate, 95%; . |
58656-99-8 | 95% | 25 g |
€745.80 | 2023-07-19 |
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tert-Butyl 3-nitrobenzoate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
Additional information on tert-Butyl 3-nitrobenzoate
tert-Butyl 3-nitrobenzoate (CAS No. 58656-99-8): A Comprehensive Guide to Its Properties and Applications
tert-Butyl 3-nitrobenzoate (CAS No. 58656-99-8) is a specialized organic compound widely utilized in pharmaceutical and chemical research. This ester derivative of 3-nitrobenzoic acid and tert-butanol is valued for its unique chemical properties, including stability under various conditions and reactivity in synthetic pathways. Researchers often search for "tert-Butyl 3-nitrobenzoate synthesis" or "58656-99-8 applications," reflecting its importance in organic synthesis and drug development.
The compound’s molecular structure features a nitro group at the meta position of the benzene ring, which enhances its electrophilic character. This makes it a valuable intermediate in the preparation of more complex molecules, such as pharmaceutical intermediates and agrochemicals. Recent trends in green chemistry have also sparked interest in "sustainable synthesis of tert-Butyl 3-nitrobenzoate," as industries seek eco-friendly alternatives to traditional methods.
In analytical chemistry, tert-Butyl 3-nitrobenzoate is often used as a reference standard due to its well-defined spectral properties. Laboratories frequently inquire about "HPLC analysis of 58656-99-8" or "tert-Butyl 3-nitrobenzoate NMR data," highlighting its role in quality control and method validation. Its compatibility with techniques like gas chromatography (GC) and mass spectrometry (MS) further broadens its utility.
Beyond research, this compound has garnered attention in material science, particularly in the development of advanced polymers and coatings. Its nitro group can participate in polymerization reactions, contributing to the creation of materials with enhanced durability and chemical resistance. Searches for "tert-Butyl 3-nitrobenzoate in polymer chemistry" underscore its growing relevance in this field.
Safety and handling of tert-Butyl 3-nitrobenzoate are also frequently discussed topics. While it is not classified as hazardous under standard conditions, proper storage in cool, dry environments is recommended to maintain its stability. Users often seek "58656-99-8 safety data sheet" or "tert-Butyl 3-nitrobenzoate handling precautions" to ensure compliance with laboratory protocols.
In summary, tert-Butyl 3-nitrobenzoate (CAS No. 58656-99-8) is a versatile compound with applications spanning pharmaceuticals, agrochemicals, and material science. Its unique properties and adaptability to modern synthetic challenges make it a subject of ongoing research and industrial interest. As scientific advancements continue, this compound is likely to remain a key player in innovative chemical solutions.
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