4-chloro-7-fluoro-6-nitro-quinazoline - CAS 162012-70-6
Catalog: |
BB011815 |
Product Name: |
4-chloro-7-fluoro-6-nitro-quinazoline |
CAS: |
162012-70-6 |
Synonyms: |
4-chloro-7-fluoro-6-nitroquinazoline; 4-chloro-7-fluoro-6-nitroquinazoline |
IUPAC Name: | 4-chloro-7-fluoro-6-nitroquinazoline |
Description: | 4-chloro-7-fluoro-6-nitro-quinazoline (CAS# 162012-70-6) is an intermediate in the synthesis of Afatinib (A355300), an aminocrotonylamino-substituted quinazoline derivative used for treating cancer and diseases of the respiratory tract, lungs, gastrointestinal tract, bile duct, and gallbladder. |
Molecular Weight: | 227.58 |
Molecular Formula: | C8H3ClFN3O2 |
Canonical SMILES: | C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CN=C2Cl |
InChI: | InChI=1S/C8H3ClFN3O2/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8/h1-3H |
InChI Key: | UYQMNEZWVKRWMS-UHFFFAOYSA-N |
Boiling Point: | 395.292 °C at 760 mmHg |
Density: | 1.649 g/cm3 |
MDL: | MFCD08063159 |
LogP: | 2.85370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264888-A | Tyrosine kinase inhibitor and pharmaceutical application thereof | 20210304 |
WO-2021195206-A1 | Polymorphic forms and related uses | 20200324 |
CN-111297865-A | Use of heterocyclic compound-containing composition for preparing medicine for treating lung cancer | 20200315 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
WO-2020068867-A1 | Quinazoline derivatives as tyrosine kinase inhibitor, compositions, methods of making them and their use | 20180925 |
PMID | Publication Date | Title | Journal |
17849477 | 20080101 | Solid-phase synthesis of 4,8-disubstituted-8,9-dihydropyrazino[2,3-g]quinazolin-7(6H)-ones | Biopolymers |
17334377 | 20070401 | Structure-guided development of affinity probes for tyrosine kinases using chemical genetics | Nature chemical biology |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.9897822 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.9897822 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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