5-Chlor-1,10-phenanthrolin

5-Chloro-1,10-phenanthroline

HCID 77865CAS 4199-89-7

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Grundinformationen

Standard-SMILES: Clc1cc2cccnc2c2ncccc12
InChIKey: XDUUQOQFSWSZSM-UHFFFAOYSA-N
Summenformel: C12H7ClN2
Durchschnittliche Molmasse: 214,65 g/mol
Monoisotopische Masse: 214,0297759

Namen und Bezeichner

Bevorzugter Name: 5-Chloro-1,10-phenanthroline
IUPAC: 5-chloro-1,10-phenanthroline
Lokaler Name: 5-Chlor-1,10-phenanthrolin
Englischer Name: 5-Chloro-1,10-phenanthroline
Summenformel: C12H7ClN2
Molmasse: 214.65

Namen und Synonyme

5-Chloro-1,10-phenanthroline1,10-Phenanthroline, 5-chloro-EINECS 224-098-1DTXSID2063347RefChem:1022581,10Phenanthroline, 5chloroDTXCID9040007224-098-1InChI=1/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7XDUUQOQFSWSZSM-UHFFFAOYSA-N4199-89-7MFCD00004980

Weitere Namen anzeigen

RMA-429TIMTEC-BB SBB008907oro-1,10-phenanthroL5-Chloro-o-phenanthroline5-chloro-10-phenanthroline5-Chloro-1,10-phenanthroline>5-Chloro-1,10-phenanthroline 98%

CHEMBL3171155-Chloro-1.10-phenanthroline5-chloropyridino[3,2-h]quinolineMLS001360518SCHEMBL5047655-Chloro-1,10-diazaphenanthreneHMS3074N22BDBM50401344

Datenbank-Bezeichner

CAS: 4199-89-7
PubChem CID: 77865
DTXSID: DTXSID2063347
ChEMBL: CHEMBL317115
EC Number: 224-098-1
Nikkaji: J208.212H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 234

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-126 °C (lit.)
Siedepunkt: 397.4 · 397.4±22.0 °C(Predicted)
Dichte: 1.375 · 1.375±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: It is soluble in organic solvents.
Aggregatzustand: Crystalline
pka: 4.02 · 4.02±0.10(Predicted)
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
InChIKey: XDUUQOQFSWSZSM-UHFFFAOYSA-N
SMILES: N1C2C(=C(Cl)C=C3C=2N=CC=C3)C=CC=1
CAS Datenbank: 4199 · 4199-89-7(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,10-Phenanthroline, 5-chloro- (4199-89-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2933.49.7000
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,10-Phenanthroline, 5-chloro-: ACTIVE

Anwendungen

Verwenden5-Chloro-1,10-phenanthroline was used in preparation of:1,10-phenanthrolinium cation, new building block for the design of ionic liquid crystalsplatinum(II)-based metallointercalators