4-Chloro-8-methoxy-2-methylquinoline

HCID 807583

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Basic information

CAS: 64951-58-2
Standard SMILES: COc1cccc2c(Cl)cc(C)nc12
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
Molecular formula: C11H10ClNO
Average molar mass: 207.65 g/mol
Monoisotopic mass: 207.0450916

Names & identifiers

Preferred name: 4-Chloro-8-methoxy-2-methylquinoline
IUPAC: 4-chloro-8-methoxy-2-methylquinoline
English name: 4-CHLORO-8-METHOXY-2-METHYLQUINOLINE
Molecular formula: C11H10ClNO
Molecular weight: 207.66

Names & synonyms

4-Chloro-8-methoxy-2-methylquinoline64951-58-2DTXSID40355586RefChem:291949DTXCID10306646676-787-5MFCD002724014-Chloro-8-methoxy-2-methyl-quinoline4-Chloro-8-methoxyquinaldineCBMicro_008398SCHEMBL316994SCHEMBL29393886

Show more names

4-chloro-8-Methoxxyquinaldine8-Methoxy-4-chloro-2-Methyl quinoline2-methyl-4-chloro-8-methoxy quinolineQuinoline, 4-chloro-8-methoxy-2-methyl-4-Chloro-8-methoxy-2-methylquinoline 97%4-chloro-8-methoxy-2-methylquinoline - [C87161]

WLZ4017RHSCPZBPNUZBOA-UHFFFAOYSA-NSMSF0009987SBB0792484-chloro-2-methyl-8-methoxyquinolineAKOS000507495CB11345FC28940

Database identifiers

CAS: 64951-58-2
PubChem CID: 807583
DTXSID: DTXSID40355586
EC Number: 676-787-5

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 80 · 80-85 °C
Boiling point: 308.8 · 308.8±37.0 °C(Predicted)
Density: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.67 · 2.67±0.50(Predicted)
form: solid
Appearance: Light brown to brown Solid
InChI: InChI=1S/C11H10ClNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2OC)C(Cl)=CC=1C
CAS DataBase Reference: 64951 · 64951-58-2(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310-P305+P351+P338
Hazard Codes: Xi,T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (90.9%)；Eye Dam. 1 (90.9%)

Safety data

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933499090
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,T
safety_code: 26-39-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310-P305+P351+P338

Chemistry & industry

Applications

Uses4-CHLORO-8-METHOXY-2-METHYLQUINOLINE is an organic chemical and pharmaceutical intermediate, its chloro group on quinoline core make it uesful for synthesizing functional materials and bioactive molecules.