Dinex

Base Information

• Chemical Name: Dinex
• CAS No.: 131-89-5
• Molecular Formula: C12H14 N2 O5
• Molecular Weight: 266.254
• Hs Code.: 2908999022
• European Community (EC) Number: 205-042-5
• NSC Number: 403662,7739
• UN Number: 2779
• UNII: 149RBS03P0
• DSSTox Substance ID: DTXSID4024064
• Nikkaji Number: J2.945I
• Wikidata: Q27155777
• ChEMBL ID: CHEMBL3188606
• Mol file: 131-89-5.mol

Synonyms:Dinex;2-Cyclohexyl-4,6-dinitrophenol;131-89-5;Phenol, 2-cyclohexyl-4,6-dinitro-;DNOCHP;Dinitrocyclohexylphenol;Dowspray 17;Dry mix No. 1;DN (pesticide);Dn Dry Mix No. 1;Dn Dust No. 12;Dinitro-o-cyclohexylphenol;Dinex [ISO];DN 1;4,6-Dinitro-o-cyclohexylphenol;Pedinex [French];6-Cyclohexyl-2,4-dinitrophenol;Rcra waste number P034;2,4-DINITRO-6-CYCLOHEXYLPHENOL;ENT 157;SN 46;Caswell No. 391;2-Cyclohexyl-4,6-dinitrofenol;6-Cicloesil-2,4-dinitr-fenolo;Phenol, 6-cyclohexyl-2,4-dinitro-;Dinitro-ortho-cyclohexylphenol;NSC 403662;HSDB 6046;EINECS 205-042-5;RCRA waste no. P034;EPA Pesticide Chemical Code 037501;2-Cyclohexyl-4,6-dinitrofenol [Dutch];BRN 2005960;6-Cicloesil-2,4-dinitr-fenolo [Italian];UNII-149RBS03P0;AI3-00157;DTXSID4024064;CHEBI:82167;4,6-Dinitro-o-cyclohexyl phenol;149RBS03P0;NSC-7739;NSC-403662;DN;4-06-00-03903 (Beilstein Handbook Reference);WLN: L6TJ AR BQ CNW ENW;DCY (CHRIS Code);DINEX [HSDB];Stryphnonasal (Salt/Mix);SCHEMBL117983;DTXCID804064;CHEMBL3188606;NSC7739;2,4-Dinitro-6- cyclohexylphenol;SN-46;Fenol, 2-ciclohexil-4,6-dinitro-;phenol, 2-cyclohexyl-4,4-dinitro-;Tox21_200872;NA9026;NSC403662;AKOS022180732;AKOS040751585;NA 9026;NCGC00248856-01;NCGC00258426-01;CAS-131-89-5;LS-104282;2-CYCLOHEXYL-4,6-DINITROPHENOL [MI];C19038;Q27155777

Chemical Property of Dinex

Chemical Property:

• Melting Point: 106°C
• Refractive Index: 1.6660 (estimate)
• Boiling Point: 320.9°Cat760mmHg
• PKA: 4.08±0.38(Predicted)
• Flash Point: 129.6°C
• PSA: 111.87000
• Density: 1.381g/cm³
• LogP: 4.30270
• Water Solubility.: 15mg/L(25 oC)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 266.09027155
• Heavy Atom Count: 19
• Complexity: 345
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyclohexyl-4,6-dinitrophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 23/24/25-50/53
• Safety Statements: 13-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Technology Process of Dinex

There total 6 articles about Dinex 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:

2-cyclohexylphenol (119-42-6) → 2-cyclohexyl-4,6-dinitrophenol (131-89-5)

Guidance literature:

With chloroform; nitric acid; at 15 ℃;

DOI:10.1007/BF01518863

Reference yield:

cyclohexanol (108-93-0) → 2-cyclohexyl-4,6-dinitrophenol (131-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid

2: fuming nitric acid; P₂O₅; ethyl acetate; HNO₃ / 0 - 5 °C

With sulfuric acid; nitric acid; phosphorus pentoxide; ethyl acetate;

DOI:10.1021/ja01332a046

Reference yield:

phenol (108-95-2,27073-41-2) → 2-cyclohexyl-4,6-dinitrophenol (131-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid

2: fuming nitric acid; P₂O₅; ethyl acetate; HNO₃ / 0 - 5 °C

With sulfuric acid; nitric acid; phosphorus pentoxide; ethyl acetate;

DOI:10.1021/ja01332a046

upstream raw materials:

2-cyclohexylphenol

nitric acid

chloroform

cyclohexanol

Downstream raw materials:

pent-4-enoic acid-(2-cyclohexyl-4,6-dinitro-phenyl ester)

2-cyclohexyl-4,6-dinitro-anisole

2-cyclohexyl-4,6-dinitro-phenetole

1-Cyclohexyl-2-(2,3-dibromo-propoxy)-3,5-dinitro-benzene