2-Chloro-5,8-dimethoxy-4-methylquinoline
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Basic information
- CAS
58868-27-2- Standard SMILES
COc1ccc(OC)c2c(C)cc(Cl)nc12- InChIKey
SVTDGXZOUFALGO-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0556563
Names & identifiers
- Preferred name
- 2-Chloro-5,8-dimethoxy-4-methylquinoline
- IUPAC
- 2-chloro-5,8-dimethoxy-4-methylquinoline
- English name
- 2-chloro-5,8-dimethoxy-4-methylquinoline
- Molecular formula
- C12H12ClNO2
- Molecular weight
- 237.68
Names & synonyms
2-chloro-5,8-dimethoxy-4-methylquinoline58868-27-2quinoline, 2-chloro-5,8-dimethoxy-4-methyl-MFCD06668102DTXSID80296525NSC109752TimTec1_003932Oprea1_265007HMS1545C16ALBB-023468AKOS003348995NSC-109752
Show more names
ZINC010778262-chloro-5,8-dimethoxy-4-methylquinoline(SALTDATA: FREE)
SB68624DA-18857LS-07388ST0567112-chloro-5,8-dimethoxy-4-methyl-quinolineCS-0313472H34013AG-670/08601029
Database identifiers
- CAS
58868-27-2- PubChem CID
- 269158
- DTXSID
DTXSID80296525- EC Number
- 109-554-9
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- form
- solid
- InChI
- 1S/C12H12ClNO2/c1-7-6-10(13)14-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3
- InChIKey
- SVTDGXZOUFALGO-UHFFFAOYSA-N
- SMILES
- ClC1=NC2=C(OC)C=CC(OC)=C2C(C)=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310+P330-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25-36
- Safety Statements
- 26 · 26-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P301+P310+P330-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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