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1,10-Phenanthroline ( CASNO:66-71-7 )

Identification and Related Records
Name:
1,10-Phenanthroline
CAS Registry number:
66-71-7
Synonyms:
1,10-Phenanthroline anhydrous
1,10-Phenanthroline hydrochloride monohydrate
EINECS(EC#):
200-629-2
Molecular Formula:
C12H8N2
Molecular Weight:
180.21
Inchi:
InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
Canonical SMILES:
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1
Chemical and Physical Properties
Appearance:
white crystalline powder
Density:
1.25 g/cm3
Melting Point:
114-117℃
Boiling Point:
>330°C
Flash Point:
>330°C
Water:
slightly soluble
Solubilities:
Slightly soluble SOLVENT
Stability:
Stable. Hygroscopic. Store under nitrogen. Incompatible with strong acids, strong oxidizing agents.
HS Code:
29339990
Storage temp:
Store in a cool, dry place. Keep containers tightly closed. Storage under a nitrogen blanket has been recommended.
Computed Properties:
Molecular Weight:180.20532 [g/mol]
Molecular Formula:C12H8N2
XLogP3:1.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:180.068748
MonoIsotopic Mass:180.068748
Topological Polar Surface Area:25.8
Heavy Atom Count:14
Formal Charge:0
Complexity:183
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
Hazard Codes:
T:Toxic
Risk Statements:
R25;R50/53
Safety Statements:
S45;S60;S61
HazardClass:
6.1
PackingGroup:
III
Sensitive:
Hygroscopic
Transport:
UN 2811
Use and Manufacturing
Usage:
Forms a complex compound with ferrous ions which is used under the name of ferroin â as an indicator in oxidation reduction systems, e.G., Titration of ferrous salts.
Biomedical Effects and Toxicity
Pharmacological Action:
- 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).
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