4-Chloro-6-methylquinoline

HCID 824624CAS 18436-71-0

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Grundinformationen

Standard-SMILES: Cc1ccc2nccc(Cl)c2c1
InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N
Summenformel: C10H8ClN
Durchschnittliche Molmasse: 177,63 g/mol
Monoisotopische Masse: 177,034527

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-6-methylquinoline
IUPAC: 4-chloro-6-methylquinoline
Englischer Name: 4-Chloro-6-methylquinoline
Summenformel: C10H8ClN
Molmasse: 177.63

Namen und Synonyme

4-chloro-6-methylquinoline18436-71-0DTXSID40356457RefChem:98497DTXCID50307516803-344-74-Chloro-6-methyl-quinolineQuinoline, 4-chloro-6-methyl-MFCD02684204SCHEMBL4758609SCHEMBL7499815SCHEMBL27590619

Weitere Namen anzeigen

4-Chloro-6-methylquinoline >4-chloro-6-methylquinoline - [C71820]4-Chloro-6-methylquinoline ISO 9001：2015 REACH

HZWWPOQFLMUYOX-UHFFFAOYSA-NSTL137805AKOS002683714AB12588AC-70944-Chloro-6-methylquinoline, AldrichCPRAS-58836SY051237

Datenbank-Bezeichner

CAS: 18436-71-0
PubChem CID: 824624
DTXSID: DTXSID40356457
EC Number: 803-344-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 51 to · 51.0 to 55.0 °C
Siedepunkt: 140 °C/10mmHg · 140°C/10mmHg(lit.)
Dichte: 1.225 · 1.225±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
pka: 3.79 · 3.79±0.16(Predicted)
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C10H8ClN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C)=CC=2)C(Cl)=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (95%)；STOT SE 3 (97.5%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Chloro-6-methylquinoline is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.