6-Bromo-2-methylquinoline

HCID 522885CAS 877-42-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1ccc2cc(Br)ccc2n1
InChIKey: SQRYQSKJZVQJAY-UHFFFAOYSA-N
Summenformel: C10H8BrN
Durchschnittliche Molmasse: 222,08 g/mol
Monoisotopische Masse: 220,98401136

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-2-methylquinoline
IUPAC: 6-bromo-2-methylquinoline
Englischer Name: 6-Bromo-2-methylquinoline
Summenformel: C10H8BrN
Molmasse: 222.08

Namen und Synonyme

6-Bromo-2-methylquinoline877-42-9DTXSID80335100RefChem:540784DTXCID40286189618-062-8691-857-56-BromoquinaldineQuinoline, 6-bromo-2-methyl-MFCD000797246-bromo-2-methyl-quinoline6-Bromo-2-methylquinoline #

Weitere Namen anzeigen

6-Bromo-2-methyL6-BROMOQUINAIDINE6-Bromoquildine, 98%6-Bromo-2-methylquinoline >6-BroMo-2-Methylquinoline, 97+%6-Bromo-2-methylquinoline, 97%, OS-20396-Bromo-2-methylquinoline ISO 9001：2015 REACH

SCHEMBL935575SCHEMBL276602796-Bromo-2-methylquinoline, 97%SBB062910AKOS007930454AB03064CS-W004107DS-1445

Datenbank-Bezeichner

CAS: 877-42-9
PubChem CID: 522885
DTXSID: DTXSID80335100
EC Number: 618-062-8、691-857-5
Nikkaji: J2.260.105I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
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: 101 · 101-105 °C (lit.)
Siedepunkt: 299.7 · 299.7±20.0 °C(Predicted)
Dichte: 1.488 · 1.488±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 5.02 · 5.02±0.43(Predicted)
Aggregatzustand: solid
Farbe: Grey
InChI: 1S/C10H8BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChIKey: SQRYQSKJZVQJAY-UHFFFAOYSA-N
SMILES: Cc1ccc2cc(Br)ccc2n1
CAS Datenbank: 877 · 877-42-9(CAS DataBase Reference)
NIST chemische Informationen: 6 · 6-Bromoquinaldine(877-42-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (87.2%)

Acute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 22-37/38-42-36/37/38-20/21/22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-39-36/37/39-24/25-22
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3