5-Chloroisatoic Anhydride - CAS 4743-17-3
Catalog: |
BB026280 |
Product Name: |
5-Chloroisatoic Anhydride |
CAS: |
4743-17-3 |
Synonyms: |
6-chloro-1H-3,1-benzoxazine-2,4-dione; 6-chloro-1H-3,1-benzoxazine-2,4-dione |
IUPAC Name: | 6-chloro-1H-3,1-benzoxazine-2,4-dione |
Description: | 5-Chloroisatoic Anhydride was used as a reagent in the synthesis of 2-acetamidobenzamides bearing the 2-phenoxy functionality which display antiproliferative activity against certain tumor cell lines. Also used in the preparation of inhibitors of delta-5 desaturase. |
Molecular Weight: | 197.58 |
Molecular Formula: | C8H4ClNO3 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 |
InChI: | InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12) |
InChI Key: | MYQFJMYJVJRSGP-UHFFFAOYSA-N |
Density: | 1.54 g/cm3 |
MDL: | MFCD00006701 |
LogP: | 1.13470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110724153-A | Quinazolinone derivative and preparation method and application thereof | 20190911 |
CN-110724153-B | Quinazolinone derivative and application thereof | 20190911 |
WO-2021039968-A1 | 2-aminoquinazolinone derivative | 20190830 |
CN-110372611-A | A kind of method of the polysubstituted dihydroquinazoline ketone of selectivity synthesis or quinazolinone | 20190724 |
CN-110372611-B | Method for selectively synthesizing polysubstituted dihydro quinazolinone or quinazolinone | 20190724 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9879707 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9879707 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS