1-Bromo-4-isocyanatonaphthalene

Base Information

• Chemical Name: 1-Bromo-4-isocyanatonaphthalene
• CAS No.: 1591-96-4
• Molecular Formula: C₁₁H₆BrNO
• Molecular Weight: 248.079
• Hs Code.: 2929109000
• European Community (EC) Number: 622-664-6
• Mol file: 1591-96-4.mol

Synonyms:1-Bromo-4-isocyanatonaphthalene;1591-96-4;Naphthalene, 1-bromo-4-isocyanato-;1-BROMO-ISOCYANATONAPHTHALENE 97;SCHEMBL5786288;1-Bromo-isocyanatonaphthalene,97%;AKOS015913049;1-Bromo-4-isocyanatonaphthalene, 97%;EN300-135542;J-009576;Z2230712349

Chemical Property of 1-Bromo-4-isocyanatonaphthalene

Chemical Property:

• Vapor Pressure: 0.000149mmHg at 25°C
• Melting Point: 56-60oC(lit.)
• Boiling Point: 332.1oC at 760 mmHg
• Flash Point: 154.7oC
• PSA: 29.43000
• Density: 1.48g/cm3
• LogP: 3.56960
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 246.96328
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

98%Min ^*data from raw suppliers

1-BROMO-4-ISOCYANATONAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2Br)N=C=O

Technology Process of 1-Bromo-4-isocyanatonaphthalene

There total 1 articles about 1-Bromo-4-isocyanatonaphthalene 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:

4-Bromo-1-naphthylamine (2298-07-9) → 1-bromo-4-isocyanatonaphthalene (1591-96-4)

Guidance literature:

Reference yield: 88.0%

1-bromo-4-isocyanatonaphthalene (1591-96-4) + (R)-glycidyl tosylate (113826-06-5,6746-81-2) → C21H18BrNO5S (1356485-18-1)

Guidance literature:

With lithium iodide; In tetrahydrofuran; for 0.75h; regioselective reaction; Reflux;

DOI:10.5012/bkcs.2011.32.12.4450

Reference yield: 81.0%

1-bromo-4-isocyanatonaphthalene (1591-96-4) + 3,5-dimethoxy-benzoic acid hydrazide (51707-38-1) → C20H18BrN3O4 (1279654-58-8)

Guidance literature:

In tetrahydrofuran; methanol; for 1h;

DOI:10.1039/c5ra21326f

upstream raw materials:

4-Bromo-1-naphthylamine

Downstream raw materials:

C₂₁H₁₈BrNO₅S

C₂₀H₁₈BrN₃O₄