2-Bromo-1,10-phenanthroline

HCID 12830247CAS 22426-14-8

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Grundinformationen

Standard-SMILES: Brc1ccc2ccc3cccnc3c2n1
InChIKey: ZRJUDAZGVGIDLP-UHFFFAOYSA-N
Summenformel: C12H7BrN2
Durchschnittliche Molmasse: 259,1 g/mol
Monoisotopische Masse: 257,97926

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1,10-phenanthroline
IUPAC: 2-bromo-1,10-phenanthroline
Englischer Name: 2-Bromo-1,10-phenanthroline
Summenformel: C12H7BrN2
Molmasse: 259.1

Namen und Synonyme

2-BROMO-1,10-PHENANTHROLINE22426-14-8RefChem:85607607-070-71,10-Phenanthroline, 2-bromo-MFCD131521022-Bromo-1,10-phenathrolinebromophenanthrolineBCP26109SCHEMBL809383ZRJUDAZGVGIDLP-UHFFFAOYSA-NDTXSID401310088

Weitere Namen anzeigen

TC-OM-102-Bromo-1,10-phenant2-Bromo-1,10-phenthroline

SMSSF-0625492AKOS015899602AMS_CNC_ID-458950314CS-W004619DS-12821SY038336DB-025849B4456

Datenbank-Bezeichner

CAS: 22426-14-8
PubChem CID: 12830247
DTXSID: DTXSID401310088
EC Number: 607-070-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
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

Physikochemische Eigenschaften

Schmelzpunkt: 161 to · 161.0 to 165.0 °C
Siedepunkt: 414.3 · 414.3±25.0 °C(Predicted)
Dichte: 1.616 · 1.616
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.2 · 4.20±0.10(Predicted)
Aggregatzustand: powder
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
InChIKey: ZRJUDAZGVGIDLP-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C3C=2N=CC=C3)C=CC=1Br
CAS Datenbank: 22426 · 22426-14-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (75%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (75%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (25%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 3 (25%)；STOT SE 3 (50%)；Aquatic Acute 1 (75%)；Aquatic Chronic 1 (75%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
hs_code: 29339900
risk_code: 41
safety_code: 26-39
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. 1Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBrominated phenanthroline can be synthesized via a method reported by Baran and coworkers using a two-step protocol through N-Oxide formation using m-CBPA (Aldrich 273031) and bromination using TBAB (Sigma-Aldrich 426288) and p-Toluenesulfonic anhydride (Aldrich 259764).