Cas no 130766-91-5 (4-Isopropyl-3-nitro-benzaldehyde)
4-Isopropyl-3-nitro-benzaldehyde is a nitro-substituted aromatic aldehyde with a molecular formula of C??H??NO?. This compound features an isopropyl group at the 4-position and a nitro group at the 3-position relative to the formyl functionality, making it a versatile intermediate in organic synthesis. Its electron-withdrawing nitro group enhances reactivity in nucleophilic aromatic substitution and condensation reactions, while the aldehyde group serves as a key functional group for further derivatization. The compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its well-defined structure and consistent purity ensure reliable performance in research and industrial applications. Proper handling is advised due to potential sensitivity to light and heat.
130766-91-5 structure
Product Name:4-Isopropyl-3-nitro-benzaldehyde
CAS No:130766-91-5
MF:C10H11NO3
MW:193.199242830276
CID:203695
PubChem ID:1517487
Update Time:2025-10-29
4-Isopropyl-3-nitro-benzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-Isopropyl-3-nitrobenzaldehyde
- 4-ISOPROPYL-3-NITRO-BENZALDEHYDE
- Benzaldehyde,4-(1-methylethyl)-3-nitro-
- 3-nitro-4-(1-methylethyl)benzaldehyde
- 3-Nitro-cuminol
- 4-Isopropyl-3-nitro-benzaldehyd
- AC1LTZIT
- AC1Q1OBF
- ACMC-1BZ47
- CTK4B6913
- CS-0220017
- MFCD03820045
- DTXSID20363987
- AKOS000116480
- Z56921097
- 130766-91-5
- Benzaldehyde, 4-(1-methylethyl)-3-nitro-
- EN300-05562
- ETHYL5-[(ACETYLOXY)METHYL]-2-FUROATE
- 3-nitro-4-propan-2-ylbenzaldehyde
- 3-nitro-4-(propan-2-yl)benzaldehyde
- 4-Isopropyl-3-nitro-benzaldehyde
-
- MDL： MFCD03820045
- Inchi： 1S/C10H11NO3/c1-7(2)9-4-3-8(6-12)5-10(9)11(13)14/h3-7H,1-2H3
- InChI Key： VUYAJVSQKPFUSL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=O)C=CC=1C(C)C)=O
Computed Properties
- Exact Mass: 193.07393
- Monoisotopic Mass: 193.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 2.3
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- Density: 1.185
- Boiling Point: 331.7°Cat760mmHg
- Flash Point: 157.4°C
- Refractive Index: 1.573
- PSA: 60.21
- LogP: 3.05390
4-Isopropyl-3-nitro-benzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I779260-50mg |
4-Isopropyl-3-nitro-benzaldehyde |
130766-91-5 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I779260-100mg |
4-Isopropyl-3-nitro-benzaldehyde |
130766-91-5 | 100mg |
$ 95.00 | 2022-06-04 | ||
| TRC | I779260-500mg |
4-Isopropyl-3-nitro-benzaldehyde |
130766-91-5 | 500mg |
$ 320.00 | 2022-06-04 | ||
| Chemenu | CM372948-250mg |
4-Isopropyl-3-nitrobenzaldehyde |
130766-91-5 | 95%+ | 250mg |
$130 | 2022-06-13 | |
| Chemenu | CM372948-500mg |
4-Isopropyl-3-nitrobenzaldehyde |
130766-91-5 | 95%+ | 500mg |
$213 | 2022-06-13 | |
| Chemenu | CM372948-1g |
4-Isopropyl-3-nitrobenzaldehyde |
130766-91-5 | 95%+ | 1g |
$310 | 2022-06-13 | |
| Enamine | EN300-05562-0.05g |
3-nitro-4-(propan-2-yl)benzaldehyde |
130766-91-5 | 95% | 0.05g |
$66.0 | 2023-10-28 | |
| Enamine | EN300-05562-0.1g |
3-nitro-4-(propan-2-yl)benzaldehyde |
130766-91-5 | 95% | 0.1g |
$98.0 | 2023-10-28 | |
| Enamine | EN300-05562-0.25g |
3-nitro-4-(propan-2-yl)benzaldehyde |
130766-91-5 | 95% | 0.25g |
$142.0 | 2023-10-28 | |
| Enamine | EN300-05562-0.5g |
3-nitro-4-(propan-2-yl)benzaldehyde |
130766-91-5 | 95% | 0.5g |
$271.0 | 2023-10-28 |
4-Isopropyl-3-nitro-benzaldehyde Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
130766-91-5 (4-Isopropyl-3-nitro-benzaldehyde) Related Products
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- 141030-20-8(Ethanone, 1-(4-ethyl-2-nitrophenyl)-)
- 103203-47-0(1-(4-ethyl-3-nitrophenyl)ethanone)
- 16994-13-1(1-(5-amino-2-nitro-phenyl)-ethanone)
- 99758-72-2(Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-)
- 4748-80-5(4-ethyl-3-nitrobenzaldehyde)
- 107342-59-6(Benzaldehyde, 4-(1,1-dimethylethyl)-3-nitro-)
- 107342-60-9(Benzaldehyde, 4-(1,1-dimethylethyl)-3,5-dinitro-)
- 60191-42-6((2-Nitrophenyl)(3-nitrophenyl)methanone)
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