4,5-Dichloroquinoline
Basic information
- CAS
21617-18-5- Standard SMILES
Clc1cccc2nccc(Cl)c12- InChIKey
SNZMBGPVGUVXRP-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2N
- Average molar mass
- 198.05 g/mol
- Monoisotopic mass
- 196.9799046
Names & identifiers
- Preferred name
- 4,5-Dichloroquinoline
- IUPAC
- 4,5-dichloroquinoline
- English name
- 4,5-DICHLORO-QUINOLINE
- Molecular formula
- C9H5Cl2N
- Molecular weight
- 198.05
Names & synonyms
4,5-dichloroquinoline21617-18-5DTXSID20302230RefChem:1069377DTXCID70253364801-509-84,5-DICHLORO-QUINOLINEMFCD11858577Hydroxychloroquine Sulfate Impurity 1NSC-149794Quinoline, 4,5-dichloro-Quinoline,4,5-dichloro-
Show more names
Hydroxychloroquine Sulfate Impurity 104,5-DICHLORO-QUINOLINE ISO 9001：2015 REACH
NSC1497944,5-diCl-quinolineQuinoline,5-dichloro-9V2PD28Y9PSCHEMBL6465602SCHEMBL29404834ZB0094AKOS006345307
Database identifiers
- CAS
21617-18-5- PubChem CID
- 288541
- DTXSID
DTXSID20302230- UNII
- 9V2PD28Y9P
- EC Number
- 801-509-8
- Nikkaji
- J83.086K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 118 °C · 118°C
- Boiling point
- 324.23 °C · 324.23°C (rough estimate)
- Density
- 1.4178 · 1.4178 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Sligh
- form
- Solid
- pka
- 2.47 · 2.47±0.25(Predicted)
- color
- Off-White to Pale Beige
- InChI
- InChI=1S/C9H5Cl2N/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5H
- InChIKey
- SNZMBGPVGUVXRP-UHFFFAOYSA-N
- SMILES
- N1C2C(=C(Cl)C=CC=2)C(Cl)=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933491090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4,5-Dichloroquinoline can be used as an antimalarial.
Suppliers
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Related reactions
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Compound notes
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