4-Nitroindan

Base Information

• Chemical Name: 4-Nitroindan
• CAS No.: 34701-14-9
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.176
• Hs Code.: 2904209090
• European Community (EC) Number: 252-159-2
• NSC Number: 76671
• DSSTox Substance ID: DTXSID40188255
• Nikkaji Number: J250.955E
• Wikidata: Q83060061
• Mol file: 34701-14-9.mol

Synonyms:4-Nitroindan;4-nitro-2,3-dihydro-1H-indene;34701-14-9;4-nitroindane;EINECS 252-159-2;4-Nitro-indan;2,3-Dihydro-4-nitro-1H-indene;NSC76671;1H-Indene, 2,3-dihydro-4-nitro-;4-Nitroindan, 99%;SCHEMBL2243721;DTXSID40188255;MFCD00078173;NSC 76671;NSC-76671;AKOS015898203;AS-42815;CS-0360473;FT-0619235;J-019718

Chemical Property of 4-Nitroindan

Chemical Property:

• Vapor Pressure: 0.00941mmHg at 25°C
• Melting Point: 41-43 °C(lit.)
• Refractive Index: 1.5460 (estimate)
• Boiling Point: 105-107 °C6 mm Hg(lit.)
• Flash Point: 127.3°C
• PSA: 45.82000
• Density: 1.251g/cm³
• LogP: 2.60670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Nitroindan 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]

Technology Process of 4-Nitroindan

There total 4 articles about 4-Nitroindan which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 66.0%

INDANE (496-11-7) → 4-nitroindane (34701-14-9)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 4h;

Reference yield:

INDANE (496-11-7) → 4-nitroindane (34701-14-9) + 5-nitroindane (7436-07-9,34517-17-4)

Guidance literature:

With sulfuric acid; nitric acid; at -10 ℃;

DOI:10.1021/ja01850a049

Reference yield:

INDANE (496-11-7) → 4-nitroindane (34701-14-9) + dibutyl ether ; compound with boron fluoride

Guidance literature:

With nitric acid; uronium nitrate; acetic anhydride; at -10 ℃;

upstream raw materials:

INDANE

Downstream raw materials:

4-aminoindan

4-nitro-2,3-dihydro-1H-inden-1-one

3-nitrophthalic acid

4-amino-2,3-dihydro-1H-inden-1-one

Refernces

• 1、 -. "NOVEL COMPOUNDS". Page/Page column 104; 105. . Retrieved 2019/04/27.
• 2、 Sellitto, Ian,Bourdonnec, Bertrand Le,Worm, Karin,Goodman, Allan,Savolainen, Markku A.,Chu, Guo-Hua,Ajello, Christopher W.,Saeui, Christopher T.,Leister, Lara K.,Cassel, Joel A.,DeHaven, Robert N.,LaBuda, Christopher J.,Koblish, Michael,Little, Patrick J.,Brogdon, Bernice L.,Smith, Steven A.,Dolle, Roland E.. "Novel sulfamoyl benzamides as selective CB2 agonists with improved in vitro metabolic stability". scheme or table. p. 387 - 391. Retrieved 2010/04/06.