2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-

Base Information

• Chemical Name: 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-
• CAS No.: 7672-94-8
• Molecular Formula: C₈H₄ClNO₂S
• Molecular Weight: 213.644
• DSSTox Substance ID: DTXSID90227547
• Mol file: 7672-94-8.mol

Synonyms:6-Chloro-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione;7672-94-8;2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-;C8H4ClNO2S;C8-H4-Cl-N-O2-S;DTXSID90227547;LS-41768

Chemical Property of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 78.35000
• Density: 1.62g/cm³
• LogP: 2.91630
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 212.9651272
• Heavy Atom Count: 13
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

6-CHLORO-2-THIO-2H-1,3-BENZOXAZINE-2,4(3H)-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=O)NC(=S)O2
• Uses: Agricultural chemical.

Technology Process of 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio-

There total 2 articles about 2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-2-thio- 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: 79.0%

C20H15N2PS2 (89430-08-0) + 5-chloro-2-hydroxybenzoic acid (321-14-2) → 6-chloro-2-thioxo-2,3-dihydro-4H-1,3-benzoxazin-4-one (774-32-3,7672-94-8)

Guidance literature:

In dichloromethane;

DOI:10.1081/SCC-200061564

Reference yield:

→ 6-chloro-2-thioxo-2,3-dihydro-4H-1,3-benzoxazin-4-one (774-32-3,7672-94-8)

Guidance literature:

subst. Salicylsaeure IIIb, Ph3P(SCN)2;

upstream raw materials:

C₂₀H₁₅N₂PS₂

5-chloro-2-hydroxybenzoic acid