2-Chloro-6-methoxy-4-methylquinoline
Basic information
- CAS
6340-55-2- Standard SMILES
COc1ccc2nc(Cl)cc(C)c2c1- InChIKey
VXGIQWGIRMJJDC-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO
- Average molar mass
- 207.65 g/mol
- Monoisotopic mass
- 207.0450916
Names & identifiers
- Preferred name
- 2-Chloro-6-methoxy-4-methylquinoline
- IUPAC
- 2-chloro-6-methoxy-4-methylquinoline
- English name
- 2,6-Dimethoxy-4-methylquinoline
- Molecular formula
- C11H10ClNO
- Molecular weight
- 207.66
Names & synonyms
2-Chloro-6-methoxy-4-methylquinoline6340-55-22-Chloro-6-methoxy-4-methyl-quinolineQuinoline, 2-chloro-6-methoxy-4-methyl-2,6-DIMETHOXY-4-METHYLQUINOLINELepidine, 2-chloro-6-methoxy-MFCD00087558NSC135772-Chloro-6-methoxyepidineSCHEMBL2531203DTXSID102796492-Chloro-6-methoxylepidine
Show more names
2-Chloro-6-methoxy-4-methylquinoline - [C24654]
2-Chloro-4-methyl-6-methoxyquinoline; NSC 13577; NSC 51245; 2-hloro-6-methoxy-lepidine2-chloro-6-methoxy-4methylquinolinNSC512452-chloro-6-methoxy-4methylquinolineNSC-13577NSC-51245XH07922-chloro-4-methyl-6-methoxyquinoline
Database identifiers
- CAS
6340-55-2- PubChem CID
- 224788
- DTXSID
DTXSID10279649- EC Number
- 629-909-6
- Nikkaji
- J117.493B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Chloroform, Dichloromethane
- form
- powder
- color
- Light pink
- InChI
- 1S/C11H10ClNO/c1-7-5-11(12)13-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3
- InChIKey
- VXGIQWGIRMJJDC-UHFFFAOYSA-N
- SMILES
- ClC1=NC2=C(C(C)=C1)C=C(OC)C=C2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933499090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
Chemistry & industry
Applications
Uses2-Chloro-6-methoxy-4-methylquinoline is an intermediate in the synthesis of Tafenoquine-d3 Succinate which is the labelled analog of Tatenoquine (T004760), a new 8-aminoquinoline with an improved therapeutic index and safety profile as compared to primaquine (P733500).Tafenoquine has the potential to become a widely used drug in the prevention and treatment of malaria infection and could replace some currently used drugs as resistant strains of Plasmodium species increase.
Upstream & downstream products
Downstream products
Related reactions
10 records
Compound notes
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