Butyl 2-isocyanatobenzoate

Base Information

• Chemical Name: Butyl 2-isocyanatobenzoate
• CAS No.: 51310-19-1
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• Hs Code.: 2929109000
• European Community (EC) Number: 633-440-2
• DSSTox Substance ID: DTXSID80199320
• Mol file: 51310-19-1.mol

Synonyms:Butyl 2-isocyanatobenzoate;51310-19-1;2-Butoxycarbonylphenyl isocyanate;2-(n-butoxycarbonyl)phenyl isocyanate;2-N-Carbobutoxyphenyl isocyanate;2-isocyanatobenzoic acid butyl ester;Butyl 2-isocyanatobenzoate #;SCHEMBL4127253;DTXSID80199320;QNWQMUCMHVKVGU-UHFFFAOYSA-N;4-n-butoxycarbonylphenyl isocyanate;AKOS005207062;FT-0608874;A828529

Chemical Property of Butyl 2-isocyanatobenzoate

Chemical Property:

• Vapor Pressure: 0.000468mmHg at 25°C
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 314.4°Cat760mmHg
• Flash Point: 134.3°C
• PSA: 55.73000
• Density: 1.08g/cm³
• LogP: 2.61080
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

98% ^*data from raw suppliers

butyl 2-isocyanatobenzoate AldrichCPR ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1N=C=O

Technology Process of Butyl 2-isocyanatobenzoate

There total 1 articles about Butyl 2-isocyanatobenzoate 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:

→ n-Butyl-2-isocyanatobenzoat (51310-19-1)

Guidance literature:

aus Verb. 2b durch Thermolyse;

DOI:10.1021/jo00927a029