1,3-Dichloroisoquinoline - CAS 7742-73-6
Catalog: |
BB035941 |
Product Name: |
1,3-Dichloroisoquinoline |
CAS: |
7742-73-6 |
Synonyms: |
1,3-dichloroisoquinoline |
IUPAC Name: | 1,3-dichloroisoquinoline |
Description: | 1,3-Dichloroisoquinoline (CAS# 7742-73-6) is a useful research chemical. |
Molecular Weight: | 198.05 |
Molecular Formula: | C9H5Cl2N |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(N=C2Cl)Cl |
InChI: | InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H |
InChI Key: | BRGZEQXWZWBPJH-UHFFFAOYSA-N |
Boiling Point: | 328.7 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.407 g/cm3 |
MDL: | MFCD00034750 |
LogP: | 3.54160 |
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 |
WO-2021194914-A1 | Substituted oxoisoindoline compounds for the treatment of cancer | 20200323 |
KR-20190127584-A | Organic electroluminescent materials and devices | 20180504 |
US-2019341561-A1 | Organic electroluminescent materials and devices | 20180504 |
AU-2018283053-A1 | Imidazole-containing inhibitors of ALK2 kinase | 20170615 |
CN-110913855-A | Imidazole-containing ALK2 kinase inhibitors | 20170615 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9799046 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9799046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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Quinoline/Isoquinoline
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