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1,10-Phenanthroline hydrate

HCID 21226
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Grundinformationen

CAS
5144-89-8
Standard-SMILES
O.c1cnc2c(c1)ccc1cccnc12
InChIKey
PPQJCISYYXZCAE-UHFFFAOYSA-N
Summenformel
C12H8N2.H2O
Durchschnittliche Molmasse
198,22 g/mol
Monoisotopische Masse
198,07931294

Überblick

O-phenanthroline monohydrate appears as white crystalline powder or solid. Slight odor. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
1,10-Phenanthroline hydrate
IUPAC
1,10-phenanthroline;hydrate
Englischer Name
1,10-Phenanthroline hydrate
Summenformel
C12H8N2.H2O
Molmasse
198.22

Namen und Synonyme

1,10-Phenanthroline hydrateRefChem:85530637108-74-05144-89-81,10-Phenanthroline monohydrateo-Phenanthroline monohydrateo-Phenanthroline (monohydrate)phenanthroline monohydrate1,10-PHENANTHROLINE, MONOHYDRATE1,10-phenanthroline;hydrateMFCD001499734,5-Phenanthroline monohydrate
Weitere Namen anzeigen
ORTHO-PHENANTHROLINE1,10-PHENANTHROLINE H2OO-PHENANTHROLINE HYDRATE1,10-Phenanthroline, ACS, 99%10-Phenanthroline monohydrate1,10-Phenanthroline 1-hydratePHENYLANTHROLINE HYDRATE 1,10-
1, 10-Phenanthroline MonohydrateKSX215X00E1,10-Phenanthroline (monohydrate)1,10-PhenanthrolinehydrateUNII-KSX215X00EAI3-220111,10-phenanthroline-hydrateSCHEMBL44857

Datenbank-Bezeichner

CAS
5144-89-8
PubChem CID
21226
DTXSID
DTXSID6075302
ChEMBL
CHEMBL1255788
UNII
KSX215X00E
EC Number
627-114-9

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
26,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
15
Formalladung
0
Komplexität
182

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Solubilityless than 0.1 mg/mL at 70 °F (NTP, 1992)
Melting Point212 to 219 °F (NTP, 1992)
Physical Description · 2 Einträge

O-phenanthroline monohydrate appears as white crystalline powder or solid. Slight odor. (NTP, 1992)

White solid with a mild odor; [CAMEO] Off-white odorless crystals; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
100 · 100-104 °C(lit.)
Siedepunkt
365.1 ° · 365.1°
Dichte
1.1 · 1.10
Dampfdichte
6.2 · 6.2 (vs air)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
200 MM · methanol: soluble200MM (Stock solution is stable for months at –20° C.)
Aggregatzustand

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 122 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1,10-Phenanthroline, monohydrate

1,10-Phenanthroline monohydrate: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and respiratory tract.
Hazards SummaryAn irritant; Harmful by ingestion, inhalation, and skin absorption; [NTP] May cause irritation; Toxic by ingestion; [Alfa Aesar MSDS] See 2,2'-Bipyridine. See POLYCYCLIC AROMATIC HYDROCARBONS.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity ProfileO-PHENANTHROLINE MONOHYDRATE is incompatible with strong oxidizers. It is also incompatible with strong acids. It forms complex compounds with ferrous ions. (NTP, 1992).

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 6 Einträge

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.

Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.

Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.

Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.

Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).

Verwendung und Herstellung

Uses · 2 Einträge

Used as an analytical reagent, colorimetric indicator, and in organic syntheses; [Merck Index] Used as a drier in the coatings industry; [NTP]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

1 10-Phenanthroline-5 6-dione 97

Zugehörige Reaktionen

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Needle-Like Crystals
Farbe
Off-white, may become cream-colored during storage
Biologische Quelle
synthetic (organic)
Wasserlöslichkeit
0.01 g/100 · <0.01 g/100 mL at 21 ºC
Merck
14 · 14,7214
BRN
4008096 · 4008096
Stabilität
Stable. Incompatible with iron, other heavy metals, strong oxidizing agents, strong acids.
InChI
1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2
InChIKey
PPQJCISYYXZCAE-UHFFFAOYSA-N
SMILES
O.c1cnc2c(c1)ccc3cccnc23
CAS Datenbank
5144 · 5144-89-8(CAS DataBase Reference)
EPA chemische Informationen
1 · 1,10-Phenanthroline, monohydrate (5144-89-8)
Air and Water Reactions
Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
tsca
Yes
ridadr
UN 2811 6.1/PG 3
hs_code
29339990
RTECS-Nr.
SF8437000
risk_code
25-50/53
Toxizität
LD50 orally in Rabbit: 132 mg/kg
hazard_code
T,N
safety_code
45-60-61
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 1
1-Epoxyethyl-3,4-epoxy-cyclohexan
2,9-Dichloro-1,10-phenanthroline
N,N'-Trimethylene-1,10-*phenanthrolinium dibromide