5-Methyl-1,10-phenanthroline
기본 정보
- CAS
3002-78-6- 표준 SMILES
Cc1cc2cccnc2c2ncccc12- InChIKey
UJAQYOZROIFQHO-UHFFFAOYSA-N- 분자식
- C13H10N2
- 평균 분자량
- 194.23 g/mol
- 단동위원소 질량
- 194.08439832
개요
RN given refers to parent cpd
이름 및 식별자
- 우선 이름
- 5-Methyl-1,10-phenanthroline
- IUPAC
- 5-methyl-1,10-phenanthroline
- 영어명
- 5-Methyl-1,10-phenanthroline
- 분자식
- C13H10N2
- 분자량
- 194.23
이름 및 동의어
5-Methyl-1,10-phenanthroline3002-78-61,10-Phenanthroline, 5-methyl-DTXSID4062771RefChem:536779DTXCID0038120221-099-95-MethylphenanthrolineMFCD00004982CHEMBL98682NSC4272SCHEMBL371564
이름 더 보기
RMA-4265-methyl-10-phenanthroline5-Methyl-1,1-phenanthroline5-Methyl-1,10-phenanthroline 98%5-Methyl-1,10-phenanthrolin-2-ol5-METHYL-1,10-PHENANTHROLINE, 99+%5-Methyl-1,10-phenanthroline Hydrate
UJAQYOZROIFQHO-UHFFFAOYSA-5-methylpyridino[3,2-h]quinolineSMSSF-0625532NSC-4272BDBM50401345AKOS015899630AMS_CNC_ID-110962535CS-W004552
데이터베이스 식별자
- CAS
3002-78-6- PubChem CID
- 72791
- DTXSID
DTXSID4062771- ChEMBL
CHEMBL98682- EC Number
- 221-099-9
- Nikkaji
- J150.535A
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 229
실험 및 물리화학적 성질
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionOff-white or pale yellow powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 113 · 113-114 °C (lit.)
- 끓는 점
- 320.68 °C · 320.68°C (rough estimate)
- 밀도
- 1.1579 · 1.1579 (rough estimate)
- 굴절률
- 1.5014 · 1.5014 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 50 mg/mL, · 메탄올: 용해성50mg/mL, 투명하거나 약간 흐릿함, 무색 내지 노란색
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 4.89 · 4.89±0.10(Predicted)
- 색상
- White to Light yellow to Light orange
- BRN
- 143849 · 143849
- InChI
- 1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
- InChIKey
- UJAQYOZROIFQHO-UHFFFAOYSA-N
- SMILES
- Cc1cc2cccnc2c3ncccc13
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29339900
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 36/37/39-26-36/37
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1,10-Phenanthroline, 5-methyl-: INACTIVE
응용 분야
용도5-Methyl-1,10-phenanthroline was used in the determination of Cu(II) in duralmin alloy by capillary zone electrophoresis.
일반 설명5-Methyl-1,10-phenanthroline forms iron(II)-phenanthroline complexes and their gas-phase stabilities has been investigated in an electrospray ionization mass spectrometer.
관련 반응
66건
화합물 노트
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