CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTER

Base Information

• Chemical Name: CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTER
• CAS No.: 32496-40-5
• Molecular Formula: C11H10ClNO2
• Molecular Weight: 223.6556
• Hs Code.: 2924299090
• NSC Number: 74388
• DSSTox Substance ID: DTXSID50186222
• Nikkaji Number: J42.873F
• Wikidata: Q83057460
• Mol file: 32496-40-5.mol

Synonyms:32496-40-5;NSC 74388;CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTER;prop-2-ynyl N-(5-chloro-2-methylphenyl)carbamate;BRN 2374139;N-(5-Chloro-o-tolyl)carbamic acid 2-propynyl ester;Carbanilic acid, 5-chloro-2-methyl-, 2-propynyl ester;NSC74388;WLN: GR D1 CMVO2UU1;DTXSID50186222;Carbanilic acid, 2-propynyl ester;NSC-74388;LS-49181;N-(5-Chloro-2-methylphenyl)carbamic acid 2-propynyl ester

Chemical Property of CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTER

Chemical Property:

• Vapor Pressure: 0.00606mmHg at 25°C
• Boiling Point: 272.5°Cat760mmHg
• PKA: 12.23±0.70(Predicted)
• Flash Point: 118.6°C
• PSA: 38.33000
• Density: 1.286g/cm³
• LogP: 2.90310
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.0400063
• Heavy Atom Count: 15
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)OCC#C

Technology Process of CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTER

There total 1 articles about CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTER 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-chloro-2-isocyanato-1-methylbenzene (40411-27-6) + propargyl alcohol (107-19-7) → (5-Chloro-2-methyl-phenyl)-carbamic acid prop-2-ynyl ester (32496-40-5)

Guidance literature:

In N,N-dimethyl-formamide;

upstream raw materials:

4-chloro-2-isocyanato-1-methylbenzene

propargyl alcohol