6-Methyl-5-nitrochinolin

6-Methyl-5-nitroquinoline

HCID 90009CAS 23141-61-9

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Grundinformationen

Standard-SMILES: Cc1ccc2ncccc2c1[N+](=O)[O-]
InChIKey: CENBTULRDDPOGR-UHFFFAOYSA-N
Summenformel: C10H8N2O2
Durchschnittliche Molmasse: 188,18 g/mol
Monoisotopische Masse: 188,0585775

Namen und Bezeichner

Bevorzugter Name: 6-Methyl-5-nitroquinoline
IUPAC: 6-methyl-5-nitroquinoline
Lokaler Name: 6-Methyl-5-nitrochinolin
Englischer Name: 6-Methyl-5-nitroquinoline
Summenformel: C10H8N2O2
Molmasse: 188.18

Namen und Synonyme

6-Methyl-5-nitroquinoline23141-61-9Quinoline, 6-methyl-5-nitro-5-Nitro-6-methylquinolineEINECS 245-447-45-Nitro-6-methyl quinolineNSC 162892DTXSID50177716RefChem:105003DTXCID10100207245-447-4CENBTULRDDPOGR-UHFFFAOYSA-N

Weitere Namen anzeigen

LABOTEST-BB LT004540496-Methyl-nitro-quinoline6-METHYL-5-NITROQUINOLINE ISO 9001：2015 REACH

MFCD00024021NSC-162892SMR000203466CS-0043038SR-01000403998Quinoline,6-methyl-5-nitro-NSC162892Maybridge1_002137

Datenbank-Bezeichner

CAS: 23141-61-9
PubChem CID: 90009
DTXSID: DTXSID50177716
ChEMBL: CHEMBL1330976
EC Number: 245-447-4
Nikkaji: J318.411K

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

Physikochemische Eigenschaften

Schmelzpunkt: 116 · 116-120 °C
Siedepunkt: 330.5 · 330.5±27.0 °C(Predicted)
Dichte: 1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 3.04 · 3.04±0.15(Predicted)
BRN: 154688 · 154688
InChI: 1S/C10H8N2O2/c1-7-4-5-9-8(3-2-6-11-9)10(7)12(13)14/h2-6H,1H3
InChIKey: CENBTULRDDPOGR-UHFFFAOYSA-N
SMILES: Cc1ccc2ncccc2c1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (90.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933499090
risk_code: 68-41-37/38-22
hazard_code: Xn
safety_code: 26-36/37/39-39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3