5-Methyl-1,10-phenanthroline

HCID 72791CAS 3002-78-6

부분 구조 검색 유사 구조 찾기

기본 정보

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 Å²
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
EPA: 1 · 1,10-Phenanthroline, 5-methyl- (3002-78-6)

화학적 성질

LIGHT YELLOW TO BEIGE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

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.