9-Bromoacridine
Grundinformationen
- CAS
4357-57-7- Standard-SMILES
Brc1c2ccccc2nc2ccccc12- InChIKey
NNTFCRCMYKVMPU-UHFFFAOYSA-N- Summenformel
- C13H8BrN
- Durchschnittliche Molmasse
- 258,11 g/mol
- Monoisotopische Masse
- 256,98401136
Namen und Bezeichner
- Bevorzugter Name
- 9-Bromoacridine
- IUPAC
- 9-bromoacridine
- Englischer Name
- 9-BroMoacridine
- Summenformel
- C13H8BrN
- Molmasse
- 258.11
Namen und Synonyme
9-Bromoacridine4357-57-7DTXSID70575199RefChem:107776DTXCID10525971684-479-79-acridinium bromide9-Bromoacridine, 97%MFCD01055528SCHEMBL2512737GEO-03633AKOS025394686
Weitere Namen anzeigen
Acridine, 9-bromo-9-Bromoacridine 97%
CS-0255162F87421Acridine,9-bromo9-bromanylacridineAS-87142SY271631F668329
Datenbank-Bezeichner
- CAS
4357-57-7- PubChem CID
- 15588290
- DTXSID
DTXSID70575199- EC Number
- 684-479-7
- Nikkaji
- J1.301.066H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 209
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesAngular frequency
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 · 115-119°C
- Siedepunkt
- 399.3 · 399.3±15.0 °C(Predicted)
- Dichte
- 1.544 · 1.544±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.96 · 3.96±0.10(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C13H8BrN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
- InChIKey
- NNTFCRCMYKVMPU-UHFFFAOYSA-N
- SMILES
- Brc1c2ccccc2nc3ccccc13
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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 40 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 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- risk_code
- 25-36/37-41
- hazard_code
- T
- safety_code
- 26-39-45
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
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