Cas no 23132-52-7 (1-TERT-BUTYL-3-NITROBENZENE)
1-TERT-BUTYL-3-NITROBENZENE is a substituted aromatic compound featuring a tert-butyl group at the 1-position and a nitro group at the 3-position of the benzene ring. This structure imparts unique steric and electronic properties, making it a valuable intermediate in organic synthesis and specialty chemical applications. The tert-butyl group enhances stability and influences reactivity, while the nitro group provides a versatile site for further functionalization, such as reduction to amines or participation in nucleophilic aromatic substitution. Its well-defined molecular architecture is advantageous for applications in pharmaceuticals, agrochemicals, and materials science, where precise control over substitution patterns is critical. The compound is typically handled under standard laboratory conditions with appropriate safety measures.
1-TERT-BUTYL-3-NITROBENZENE structure
Product Name:1-TERT-BUTYL-3-NITROBENZENE
CAS No:23132-52-7
MF:C10H13NO2
MW:179.215722799301
MDL:MFCD00086569
CID:276994
PubChem ID:90005
Update Time:2025-06-08
1-TERT-BUTYL-3-NITROBENZENE Chemical and Physical Properties
Names and Identifiers
-
- 1-TERT-BUTYL-3-NITROBENZENE
- Benzene,1-(1,1-dimethylethyl)-3-nitro-
- 1-(tert-Butyl)-3-nitrobenzene
- 1-tert-butyl-3-nitro-benzene
- 1-tert-Butyl-3-nitro-benzol
- 3-tert-Butylnitrobenzene
- 1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLICACID
- NS00027360
- SCHEMBL179286
- 1-(TERT.-BUTYL)-3-NITROBENZENE
- J-014997
- MFCD00086569
- DTXSID90177699
- ZKRDQLBHUZNPGZ-UHFFFAOYSA-N
- EN300-7394595
- m-nitro-t-butylbenzene
- Benzene, 1-(1,1-dimethylethyl)-3-nitro-
- A816582
- 1-(1,1-Dimethylethyl)-3-nitrobenzene
- EINECS 245-443-2
- UNII-7KY7G84T4L
- FT-0638297
- CS-0154914
- AKOS006272138
- 7KY7G84T4L
- 23132-52-7
- AS-64309
- DB-046078
- DTXCID00100190
-
- MDL： MFCD00086569
- Inchi： 1S/C10H13NO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7H,1-3H3
- InChI Key： ZKRDQLBHUZNPGZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 179.09500
- Monoisotopic Mass: 179.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 3.7
- Topological Polar Surface Area: 45.8A^2
Experimental Properties
- Density: 1.067±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 2 oC
- Boiling Point: 254 oC
- Flash Point: 87.8±11.5 oC,
- Refractive Index: 1.5300-1.5309 (589.3 nm 27 oC)
- Solubility: Almost insoluble (0.011 g/l) (25 o C),
- PSA: 45.82000
- LogP: 3.41550
1-TERT-BUTYL-3-NITROBENZENE Customs Data
- HS CODE：2904209090
- Customs Data：
China Customs Code:
2904209090Overview:
2904209090 Other derivatives containing only nitro or nitroso groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2904209090 derivatives containing only nitro or only nitroso groups.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
1-TERT-BUTYL-3-NITROBENZENE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WE707-500mg |
1-TERT-BUTYL-3-NITROBENZENE |
23132-52-7 | 98% | 500mg |
281CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WE707-100mg |
1-TERT-BUTYL-3-NITROBENZENE |
23132-52-7 | 98% | 100mg |
72CNY | 2021-05-07 | |
| Fluorochem | 024637-250mg |
1-tert-Butyl-3-nitrobenzene |
23132-52-7 | 97% | 250mg |
￡13.00 | 2022-03-01 | |
| Fluorochem | 024637-25g |
1-tert-Butyl-3-nitrobenzene |
23132-52-7 | 97% | 25g |
￡272.00 | 2022-03-01 | |
| Fluorochem | 024637-1g |
1-tert-Butyl-3-nitrobenzene |
23132-52-7 | 97% | 1g |
￡24.00 | 2022-03-01 | |
| Fluorochem | 024637-5g |
1-tert-Butyl-3-nitrobenzene |
23132-52-7 | 97% | 5g |
￡71.00 | 2022-03-01 | |
| abcr | AB452569-1 g |
3-tert-Butylnitrobenzene, 95%; . |
23132-52-7 | 95% | 1g |
€101.00 | 2023-07-18 | |
| abcr | AB452569-5 g |
3-tert-Butylnitrobenzene, 95%; . |
23132-52-7 | 95% | 5g |
€201.40 | 2023-07-18 | |
| abcr | AB452569-25 g |
3-tert-Butylnitrobenzene, 95%; . |
23132-52-7 | 95% | 25g |
€465.80 | 2023-07-18 | |
| Apollo Scientific | OR956369-1g |
1-tert-Butyl-3-nitrobenzene |
23132-52-7 | 98+% | 1g |
￡17.00 | 2025-03-21 |
1-TERT-BUTYL-3-NITROBENZENE Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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