4,7,8-Trichloroquinoline - CAS 17999-80-3
Catalog: |
BB013635 |
Product Name: |
4,7,8-Trichloroquinoline |
CAS: |
17999-80-3 |
Synonyms: |
4,7,8-trichloroquinoline |
IUPAC Name: | 4,7,8-trichloroquinoline |
Description: | 4,7,8-Trichloroquinoline (CAS# 17999-80-3) is a useful research chemical. |
Molecular Weight: | 232.49 |
Molecular Formula: | C9H4Cl3N |
Canonical SMILES: | C1=CC(=C(C2=NC=CC(=C21)Cl)Cl)Cl |
InChI: | InChI=1S/C9H4Cl3N/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H |
InChI Key: | FSCPDTYVUKZTGT-UHFFFAOYSA-N |
Boiling Point: | 329.2 °C at 760 mmHg |
Density: | 1.523 g/cm3 |
LogP: | 4.19500 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2988342-A1 | Analogues of hydroxychloroquine (hcq) without retinal toxicity | 20150605 |
EP-3303295-A2 | Analogues of hydroxychloroquine (hcq) without retinal toxicity | 20150605 |
US-10647677-B2 | Analogues of hydroxychloroquine (HCQ) without retinal toxicity | 20150605 |
US-2019062278-A1 | Analogues of hydroxychloroquine (hcq) without retinal toxicity | 20150605 |
WO-2016193503-A2 | Analogues of hydroxychloroquine (hcq) without retinal toxicity | 20150605 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.940932 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.940932 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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