2-Methyl-6-nitroquinoline

HCID 69172CAS 613-30-9

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Grundinformationen

Standard-SMILES: Cc1ccc2cc([N+](=O)[O-])ccc2n1
InChIKey: DXDPHHQJZWWAEH-UHFFFAOYSA-N
Summenformel: C10H8N2O2
Durchschnittliche Molmasse: 188,18 g/mol
Monoisotopische Masse: 188,0585775

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-6-nitroquinoline
IUPAC: 2-methyl-6-nitroquinoline
Englischer Name: 2-METHYL-6-NITROQUINOLINE
Summenformel: C10H8N2O2
Molmasse: 188.18

Namen und Synonyme

2-Methyl-6-nitroquinolineQuinoline, 2-methyl-6-nitro-DTXSID3060619RefChem:88210DTXCID1042998664-208-9DXDPHHQJZWWAEH-UHFFFAOYSA-N613-30-96-NitroquinaldineMFCD00051736HMS2802G10CCG-40762

Weitere Namen anzeigen

SKL649AKOS 92899AKOS BBS-000031346-Nitro-2-methylquinoline2-methyl-6-nitro-quinolin2-Methyl-6-nitroquinoxaline2-Methyl-6-nitroquinoline>

SY020324EN300-129756F2100-0099Quinoline,2-methyl-6-nitro-Maybridge1_001441A833167Oprea1_276369MLS000833689

Datenbank-Bezeichner

CAS: 613-30-9
PubChem CID: 69172
DTXSID: DTXSID3060619
ChEMBL: CHEMBL1447249
EC Number: 664-208-9
Nikkaji: J95.081E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 227

Experimentelle und physikochemische Eigenschaften

Solubility20.5 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 165 °C · 165 °C
Siedepunkt: 334.7 · 334.7±22.0 °C(Predicted)
Dichte: 1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 4.08 · 4.08±0.43(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 7915 · 7915
CAS Datenbank: 613 · 613-30-9(CAS DataBase Reference)
EPA chemische Informationen: 2 · Quinoline, 2-methyl-6-nitro- (613-30-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (86.4%)；Eye Irrit. 2A (13.6%)；STOT SE 3 (97.7%)

Regulatorische Informationen

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2933499090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationQuinoline, 2-methyl-6-nitro-: ACTIVE

Anwendungen

Verwenden2-Methyl-6-nitroquinoline is a reagent that is used as a potent, selective, and orally efficacious antagonists of melanin-concentrating hormone receptor 1.