1,10-フェナントロリン 一水和物

1,10-Phenanthroline hydrate

HCID 21226CAS 5144-89-8

基本情報

標準SMILES
O.c1cnc2c(c1)ccc1cccnc12
InChIKey
PPQJCISYYXZCAE-UHFFFAOYSA-N
分子式
C12H8N2.H2O
平均分子量
198.22 g/mol
単同位体質量
198.07931294

概要

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

名称と識別子

優先名称
1,10-Phenanthroline hydrate
IUPAC
1,10-phenanthroline;hydrate
現地名
1,10-フェナントロリン 一水和物
英語名
1,10-Phenanthroline hydrate
分子式
C12H8N2.H2O
分子量
198.22

名称と別名

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
名称をさらに表示
1,10-フェナントロリン 一水和物1,10-フェナントロリン一水和物o-フェナントロリン一水和物1,10-フェナントロリン一水和物 [生化学用]1,10‐フェナントロリン一水和物(O‐フェナントロリン一水和物)1,10-フェナントロリン,1水和物1,10-フェナントロリン(1水和物)1.10-フェナントロリン一水和物(O-)1,10-フェナントロリン一水和物 ACS REAGENT GRADE1,10-フェナントロリン水和物PHENANTHROLINE ANALYTICAL GRADE1,10-フェナントロリン・水和物1,10-フェナントロリン一水和物(o-フェナントロリン一水和物)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

データベース識別子

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

物性

構造計算による物性

極性表面積
26.8 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
15

実験および物理化学的性質

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 件

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]

物理化学的性質

融点
100 · 100-104 °C(lit.)
沸点
365.1 ° · 365.1°
比重(密度)
1.1 · 1.10
蒸気密度
6.2 · 6.2 (vs air)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
200 MM · メタノール:ソリュブル200MM(原液は-20℃で数ヶ月安定)

化学的性質

化学的特性white crystals or powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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

安全と保護具

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 件

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 件

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 件

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)

安全データ

wgk
3
tsca
Yes
rtecs
SF8437000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 orally in Rabbit: 132 mg/kg
hs_code
29339990

化学と産業

薬理情報

MeSH Pharmacological Classification · 6 件

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).

用途と製造

Uses · 2 件

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]

応用分野

用途鉄の比色定量、酸化還元滴定指示薬(フェロイン)。

一般的な説明White crystalline powder or solid. Slight odor.

調製方法 · 1 件

純化方法Crystallise its picrate (m 191o) from EtOH; then the free base is liberated with aqueous alkali, dried at 78o/8mm over P2O5 and crystallised from pet ether (b 80-100o). [Cumper et al. J Chem Soc 1188 1962.] It can be purified by zone melting. It has also been crystallised from hexane, *benzene/pet ether (b 40-60o) or sodium-dried *benzene, dried and stored over H2SO4. The monohydrate is obtained by crystallisation from aqueous EtOH or ethyl acetate. It has been crystallised from H2O (300 parts) to give the monohydrate m 102-103o which sublimes at 10-3mm [Fielding & LeFevre J Chem Soc 1811 1951.] The anhydrous compound has m 118o (after drying at high vacuum at 80o) and is also obtained by recrystallisation from pet ether or *C6H6 (70 parts) and drying at 78o/8mm. [UV: Badger et al. J Chem Soc 3199 1951.] IthasapKainH2Oof 4.857 (25o) or 5.02 (20o) and 4.27 in 50% aqueous EtOH (20o). [Albert et al. J Chem Soc 2240 1948]. [Beilstein 23 H 227, 23 II 235, 23/8 V 419.]

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