5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

HCID 10016010

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Grundinformationen

CAS: 104737-00-0
Standard-SMILES: CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1
InChIKey: DXRCGGKIRYSZQP-UHFFFAOYSA-N
Summenformel: C10H11BrN2O2
Durchschnittliche Molmasse: 271,11 g/mol
Monoisotopische Masse: 270,00039

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
IUPAC: 5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
Englischer Name: 5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
Summenformel: C10H11BrN2O2
Molmasse: 271.11

Namen und Synonyme

104737-00-05-BROMO-2-METHYL-8-NITRO-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID70434257RefChem:301712DTXCID20385083836-847-55-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolineMFCD09955235SCHEMBL30209385-Bromo-2-methyl-8-nitro-1234-tetrahydroisoquinolineIsoquinoline,5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-AKOS015908984

Weitere Namen anzeigen

Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-

DS-14019SY111586C71190F225363A1-104465-Bromo-1,2,3,4-tetrahydro-2-methyl-8-nitroisoquinoline5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydro-isoquinoline5-Bromo-N-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

Datenbank-Bezeichner

CAS: 104737-00-0
PubChem CID: 10016010
DTXSID: DTXSID70434257
EC Number: 836-847-5
Nikkaji: J2.806.799B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 49,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 256

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-89.5 °C(Solv: ethanol (64-17-5))
Siedepunkt: 345.7 · 345.7±42.0 °C(Predicted)
Dichte: 1.546 · 1.546±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7.22 · 7.22±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.