6-Bromo-2,3-dihydro-1H-indole

HCID 13098379CAS 63839-24-7

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Grundinformationen

Standard-SMILES: Brc1ccc2c(c1)NCC2
InChIKey: MTSYZAHZABCWMS-UHFFFAOYSA-N
Summenformel: C8H8BrN
Durchschnittliche Molmasse: 198,06 g/mol
Monoisotopische Masse: 196,98401136

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-2,3-dihydro-1H-indole
IUPAC: 6-bromo-2,3-dihydro-1H-indole
Englischer Name: 6-Bromo-2,3-dihydro-1H-indole hydrochloride
Summenformel: C8H8BrN
Molmasse: 198.06

Namen und Synonyme

63839-24-76-bromo-2,3-dihydro-1H-indoleDTXSID50518084RefChem:307365DTXCID70468890811-655-46-Bromoindoline1H-INDOLE, 6-BROMO-2,3-DIHYDRO-MFCD073716386-bromo-indoline6-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE6- bromoindoline

Weitere Namen anzeigen

6-BROMO-2,3-DIHYDRO-1H-INDOLE HCL6-Bromoindoline , 6-Bromo-2,3-dihydro-1H-indole6-Bromoindoline 6-BROMO-2,3-DIHYDRO-1H-INDOLE in stock Factory

6-bromo indoline6-bromo-2,3-dihydroindoleMF7CL4T48ESCHEMBL1612916SCHEMBL5540692SCHEMBL28904944SCHEMBL29414378MTSYZAHZABCWMS-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 63839-24-7
PubChem CID: 13098379
DTXSID: DTXSID50518084
UNII: MF7CL4T48E
EC Number: 811-655-4
Nikkaji: J3.173.856C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Siedepunkt: 116 · 116-118 °C(Press: 4 Torr)
Dichte: 1.514 · 1.514±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.28 · 4.28±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.