기본 정보
- 표준 SMILES
O.c1cnc2c(c1)ccc1cccnc12- InChIKey
PPQJCISYYXZCAE-UHFFFAOYSA-N- 분자식
- C12H8N2.H2O
- 평균 분자량
- 198.22 g/mol
- 단동위원소 질량
- 198.07931294
개요
O-phenanthroline monohydrate appears as white crystalline powder or solid. Slight odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1,10-Phenanthroline hydrate
- IUPAC
- 1,10-phenanthroline;hydrate
- 현지명
- 1,10-페난트롤린(1수화물)
- 영어명
- 1,10-Phenanthroline hydrate
- 분자식
- C12H8N2.H2O
- 분자량
- 198.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5144-89-8- PubChem CID
- 21226
- DTXSID
DTXSID6075302- ChEMBL
CHEMBL1255788- UNII
- KSX215X00E
- EC Number
- 627-114-9
물성
구조 계산 물성
- 극성 표면적
- 26.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 182
실험 및 물리화학적 성질
Physical Description
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]
물리화학적 성질
- 녹는점
- 100 · 100-104 °C(lit.)
- 끓는 점
- 365.1 ° · 365.1°
- 밀도
- 1.1 · 1.10
- 증기 밀도
- 6.2 · 6.2 (vs air)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 200 MM · 메탄올: 용해성200MM(원액은 -20°C에서 수개월 동안 안정적임)
- 물리적 상태
- 바늘 같은 수정
- 색상
- 회백색, 보관 시 크림색으로 변할 수 있음
- 생물학적 소스
- synthetic (organic)
- 수용성
- 21 · 21 ºC에서 <0.01g/100mL
- Merck
- 14 · 14,7214
- BRN
- 4008096 · 4008096
- 안정성
- 안정적인. 철, 기타 중금속, 강산화제, 강산과 호환되지 않습니다.
- 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
- EPA
- 1 · 1,10-Phenanthroline, monohydrate (5144-89-8)
화학적 성질
white crystals or powder
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
Chemical: 1,10-Phenanthroline, monohydrate
1,10-Phenanthroline monohydrate: Does not have an individual approval but may be used under an appropriate group standard
안전 및 보호
First Aid
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
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.
Personal Protective Equipment (PPE)
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)
안전 데이터
- wgk
- 3
- tsca
- Yes
- rtecs
- SF8437000
- ridadr
- UN 2811 6.1/PG 3
- 독성
- LD50 orally in Rabbit: 132 mg/kg
- HS 번호
- 29339990
- risk_code
- 25-50/53
- hazard_code
- T,N
- safety_code
- 45-60-61
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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).
용도 및 제조
Uses
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]
응용 분야
일반 설명White crystalline powder or solid. Slight odor.
상·하류 제품 정보
하류 제품
공급사50 곳
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