Cas no 6526-74-5 (1-ISOPROPYL-3-NITROBENZENE)

1-Isopropyl-3-nitrobenzene is an aromatic nitro compound featuring an isopropyl substituent at the 1-position and a nitro group at the 3-position of the benzene ring. This structure imparts distinct chemical properties, making it useful as an intermediate in organic synthesis, particularly in the production of agrochemicals, dyes, and pharmaceuticals. The electron-withdrawing nitro group enhances reactivity in electrophilic substitution reactions, while the isopropyl moiety contributes to steric effects and solubility in organic solvents. Its stability under standard conditions and well-defined reactivity profile make it a reliable reagent for selective functionalization. The compound is typically handled with standard safety precautions due to its potential irritant properties.

1-ISOPROPYL-3-NITROBENZENE structure

Product Name:1-ISOPROPYL-3-NITROBENZENE

CAS No:6526-74-5

MF:C₉H₁₁NO₂

MW:165.189142465591

CID:961683

PubChem ID:591251

Update Time:2025-05-26

1-ISOPROPYL-3-NITROBENZENE Chemical and Physical Properties

Names and Identifiers

- 1-ISOPROPYL-3-NITROBENZENE
- 3-Nitrocumene
- benzene, 1-(1-methylethyl)-3-nitro-
- m-nitroisopropylbenzene
- 1-Isopropyl-3-nitrobenzene #
- 1-nitro-3-propan-2-ylbenzene
- 3-Nitroisopropylbenzene
- 6526-74-5
- DB-315473
- AKOS015890280
- Cumene, m-nitro-
- 2-(m-Nitrophenyl)propane
- MFCD00092917
- 3-Isopropylnitrobenzene
- SCHEMBL254876
- m-Isopropylnitrobenzene
- A856764
- m-Nitrocumene
- 196818-49-2
- Inchi： 1S/C9H11NO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3
- InChI Key： NRKSONABASVOGU-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1)C(C)C)=O

Computed Properties

Exact Mass: 165.07903
Monoisotopic Mass: 165.078978594g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 162
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: 3.2
Topological Polar Surface Area: 45.8?2

Experimental Properties

PSA: 43.14

1-ISOPROPYL-3-NITROBENZENE Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A019090134-1g	3-Isopropylnitrobenzene	6526-74-5	95%	1g	$410.80	2023-09-01
Alichem	A019090134-5g	3-Isopropylnitrobenzene	6526-74-5	95%	5g	$1423.46	2023-09-01
Ambeed	A1163782-5g	1-Isopropyl-3-nitrobenzene	6526-74-5	98+%	5g	$160.0	2024-04-18
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