4,7-dichloroquinazoline - CAS 2148-57-4
Catalog: |
BB016908 |
Product Name: |
4,7-dichloroquinazoline |
CAS: |
2148-57-4 |
Synonyms: |
4,7-dichloroquinazoline; 4,7-dichloroquinazoline |
IUPAC Name: | 4,7-dichloroquinazoline |
Description: | 4,7-dichloroquinazoline (CAS# 2148-57-4) is a useful building block, used in the synthesis of aroylquinazolines via aroylation with aryl aldehydes. 4,7-Dichloroquinazoline has been identified as a dengue virus entry inhibitor. |
Molecular Weight: | 199.034 |
Molecular Formula: | C8H4Cl2N2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)N=CN=C2Cl |
InChI: | InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-12-8(6)10/h1-4H |
InChI Key: | FDPHWQSGEWRZOL-UHFFFAOYSA-N |
Boiling Point: | 317.6 ℃ at 760 mmHg |
Density: | 1.486 g/cm3 |
MDL: | MFCD00023911 |
LogP: | 2.93660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021023888-A1 | Isoquinoline derivatives as protein kinase inhibitors | 20190808 |
WO-2020223715-A1 | Substituted (piperidin-1-yl)aryl analogues for modulating avilactivity | 20190502 |
US-2020352942-A1 | Dosage forms and regimens for amino acid compounds | 20190408 |
WO-2020210404-A1 | Dosage forms and regimens for amino acid compounds | 20190408 |
WO-2020140001-A1 | Quinazoline derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20181228 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.9751535 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.9751535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Related Functional Groups
Halides
Quinazolines
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