2-Iodo-5-nitrotoluene

Base Information

• Chemical Name: 2-Iodo-5-nitrotoluene
• CAS No.: 5326-38-5
• Molecular Formula: C7H6 I N O2
• Molecular Weight: 263.035
• Hs Code.: 2904909090
• European Community (EC) Number: 226-204-1
• NSC Number: 293
• DSSTox Substance ID: DTXSID60201379
• Nikkaji Number: J298.003G
• Wikidata: Q72484231
• Mol file: 5326-38-5.mol

Synonyms:2-Iodo-5-nitrotoluene;1-iodo-2-methyl-4-nitrobenzene;5326-38-5;Benzene, 1-iodo-2-methyl-4-nitro-;1-Iodo-2-methyl-4-nitro-benzene;EINECS 226-204-1;MFCD00051517;NSC293;SCHEMBL527700;2-Iodo-5-nitrotoluene, 97%;2-Jod-5-Nitro- 1-Methylbenzol;DTXSID60201379;NSC 293;NSC-293;AC1338;BBL002696;STK345289;AKOS000298466;AM61572;CS-W012470;DS-16414;SY016397;BB 0245045;FT-0612655;I0992;EN300-7065625;A829482

Chemical Property of 2-Iodo-5-nitrotoluene

Chemical Property:

• Vapor Pressure: 2.23E-11mmHg at 25°C
• Melting Point: 103-107 °C(lit.)
• Boiling Point: 309.2°Cat760mmHg
• Flash Point: 140.8°C
• PSA: 45.82000
• Density: 1.883g/cm³
• LogP: 3.03100
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 262.94433
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

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

2-Iodo-5-nitrotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])I

Technology Process of 2-Iodo-5-nitrotoluene

There total 4 articles about 2-Iodo-5-nitrotoluene 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: 94.0%

2-methyl-4-nitro-benzenamine (99-52-5) → 2-iodo-5-nitrotoluene (5326-38-5)

Guidance literature:

With toluene-4-sulfonic acid; potassium iodide; sodium nitrite; In water; acetonitrile; at 20 ℃; for 4h;

Reference yield:

ortho-methylphenyl iodide (615-37-2) → 2-iodo-1-methyl-4-nitrobenzene (7745-92-8) + 2-iodo-5-nitrotoluene (5326-38-5) + 2-iodo-3-nitrotoluene (6277-17-4)

Guidance literature:

With nitric acid; trifluoroacetic anhydride; In acetic anhydride; for 0.333333h; Ambient temperature;

Reference yield:

ortho-methylphenyl iodide (615-37-2) → 2-iodo-5-nitrotoluene (5326-38-5)

Guidance literature:

bei der Nitrierung;

upstream raw materials:

ortho-methylphenyl iodide

2-methyl-4-nitro-benzenamine

sulfuric acid

Downstream raw materials:

acetic acid-[4-(2-methyl-4-nitro-phenylsulfanyl)-anilide]

1-benzyl-3-methyl-5-nitrobenzene

tert-butyl 4-(4-amino-2-methyl-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(2-methyl-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate