1,10-Phenanthroline hydrate

HCID 21226

Basic information

CAS
5144-89-8
Standard SMILES
O.c1cnc2c(c1)ccc1cccnc12
InChIKey
PPQJCISYYXZCAE-UHFFFAOYSA-N
Molecular formula
C12H8N2.H2O
Average molar mass
198.22 g/mol
Monoisotopic mass
198.07931294

Overview

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

Names & identifiers

Preferred name
1,10-Phenanthroline hydrate
IUPAC
1,10-phenanthroline;hydrate
English name
1,10-Phenanthroline hydrate
Molecular formula
C12H8N2.H2O
Molecular weight
198.22

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area
26.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15

Experimental & physicochemical properties

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 items

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]

Physicochemical properties

Melting point
100 · 100-104 °C(lit.)
Boiling point
365.1 ° · 365.1°
bulk density
300 kg/m3 · 300kg/m3
Density
1.1 · 1.10
vapor density
6.2 · 6.2 (vs air)
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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

Safety & protection

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 item

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 item

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 item

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)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
tsca
Yes
rtecs
SF8437000
ridadr
UN 2811 6.1/PG 3
hs_code
29339990

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 6 items

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).

Uses & manufacturing

Uses · 2 items

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]

Applications · 3 items

Uses1,10-Phenanthroline monohydrate is useful to study the DNA-protein interactions due to its nuclease activity. It is used as a redox indicator and reagent for spectrophotometric assay of silver. It acts as a chelating ligand for the determination of Fe, Pd and V. It also acts as a matrix metalloproteinase inhibitor. It is a photometric reagent for iron, which forms a red chelate with ferrous (iron II) ion.

UsesWhen complexed with copper, it possesses nuclease activity that has been used to study DNA-protein interactions.1,10-Phenanthroline monohydrate is an aromatic nitrogen heterocycle that may be used as a chelating agent in the preparation of metal-chelate complexes.

General DescriptionWhite crystalline powder or solid. Slight odor.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

34 records

Compound notes

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