1,7-Phenanthroline

HCID 67473CAS 12678-01-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: c1cnc2c(c1)ccc1ncccc12
InChIKey: OZKOMUDCMCEDTM-UHFFFAOYSA-N
Summenformel: C12H8N2
Durchschnittliche Molmasse: 180,2 g/mol
Monoisotopische Masse: 180,06874826

Überblick

1,7-phenanthroline is a phenanthroline.

Namen und Bezeichner

Bevorzugter Name: 1,7-Phenanthroline
IUPAC: 1,7-phenanthroline
Englischer Name: 1,7-PHENANTHROLINE
Summenformel: C12H8N2
Molmasse: 180.21

Namen und Synonyme

1,7-Phenanthroline230-46-65Y778HQU2SDTXSID50870492NSC-35679CHEBI:36418RefChem:73719DTXCID70818210MFCD00004971MLS000738106NSC3567912678-01-2

Weitere Namen anzeigen

PHENANTHROLINENSC 35679AKOS 900614,10-Phenanthroline1,7-Phenanthroline 99%Pyrido[2,3-f]quinolinePyrido[2,3-f]quinoline1

SMR000393870pyridino[2,3-f]quinolineM-PHENANTHROLINEPhenanthrolines1,5-DIAZAPHENANTHRENEm-Phenanthrolin[1,7]phenanthrolineOpera_ID_785

Datenbank-Bezeichner

CAS: 12678-01-2、230-46-6
PubChem CID: 67473
DTXSID: DTXSID50870492
ChEMBL: CHEMBL1529707
ChEBI: CHEBI:36418
UNII: 5Y778HQU2S
EC Number: 625-267-6
Nikkaji: J151.373G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 204

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials PropertiesAngular frequency

LogP1.93

Solubility>27 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.0000326 [mmHg]

Physical DescriptionTan crystalline powder; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-81 °C (lit.)
Siedepunkt: 303.03 °C · 303.03°C (rough estimate)
Dichte: 1.1836 · 1.1836 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
pka: 1 · pK1:4.30(+1) (25°C)
Farbe: White to beige
Wasserlöslichkeit: It is soluble in water, ethanol, ether and benzene.
InChI: 1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H
InChIKey: OZKOMUDCMCEDTM-UHFFFAOYSA-N
SMILES: c1cnc2c(c1)ccc3ncccc23
CAS Datenbank: 230 · 230-46-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryToxic by ingestion; An irritant; [MSDSonline] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 3 (90.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29339980
risk_code: 22-41-50/53-25
hazard_code: Xn,N,T
safety_code: 26-36/39-61-60-45-39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1,7-Phenanthroline acts as an inhibitor of germination and growth of plants. it can be used to produce [1,7]phenanthroline-8-carbonitrile with hydrocyanic acid; potassium salt at temperature. It is also used as an intermediate and chemical research.