3,4,7,8-사메틸-1,10-페난트롤린

3,4,7,8-Tetramethyl-1,10-phenanthroline

HCID 74265CAS 1660-93-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
InChIKey: NPAXPTHCUCUHPT-UHFFFAOYSA-N
분자식: C16H16N2
평균 분자량: 236.31 g/mol
단동위원소 질량: 236.13134851

이름 및 식별자

우선 이름: 3,4,7,8-Tetramethyl-1,10-phenanthroline
IUPAC: 3,4,7,8-tetramethyl-1,10-phenanthroline
현지명: 3,4,7,8-사메틸-1,10-페난트롤린
영어명: 3,4,7,8-Tetramethyl-1,10-phenanthroline
분자식: C16H16N2
분자량: 236.31

이름 및 동의어

3,4,7,8-Tetramethyl-1,10-phenanthroline1660-93-11,10-Phenanthroline, 3,4,7,8-tetramethyl-DTXSID2061856TM-1,10-PRefChem:90964DTXCID4035330216-762-4MFCD000049743,4,7,8-Tetramethylphenanthroline3,4,7,8-Me4PhenanCHEMBL99384

이름 더 보기

3,4,7,8-사메틸-1,10-페난트롤린3,4,7,8-테트라메틸-1,10-페난쓰로닌3,4,7,8-tmphenTIMTEC-BB SBB0089453,4,7,8-TetramethyL3,4,7,8-tetramethyl-1,10-filoline3,4,7,8-tetramethyl-10-phenanthroline3, 47.8-tetramethyl-1, 10-philoxoline3,4,7,8-Tetramethyl-1,1-phenanthroline3,4,7,8-TetraMethyl -1,10-phenathroline3,4,7,8-Tetramethyl-1,10-phenaanthroline

AC1714AS-15524SY0046723,4,7,8-tetramethyl-1,10-phenanthrolin3,4,7,8-tetramethyl-1,10-phenantroline3,4,7,8-Tetramethyl-1,10-diazaphenanthrene; 3,4,7,8-Tetramethyl-o-phenanthroline; 3,4,7,8-TetramethylphenanthrolineZ27681720303,4,7,8-tetramethylpyridino[3,2-h]quinoline

데이터베이스 식별자

CAS: 1660-93-1
PubChem CID: 74265
DTXSID: DTXSID2061856
ChEMBL: CHEMBL99384
EC Number: 216-762-4
Nikkaji: J151.257I

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 273

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 277 · 277-280 °C(lit.)
끓는 점: 368.78 °C · 368.78°C (rough estimate)
밀도: 1.0937 · 1.0937 (rough estimate)
굴절률: 1.5635 · 1.5635 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 1 · 1,4-디옥산, 아세톤, 디클로로메탄, N,N-디메틸포름아미드, N,N-디메틸아세트아미드, 메탄올 및 뜨거운 톨루엔에 용해됩니다.
산도 계수 (pKa): 6.37 · 6.37±0.10(Predicted)
물리적 상태: 미세 결정성 분말
색상: 라이트 베이지
수용성: 1.512 mg/L · 1.512mg/L(25.04ºC)
BRN: 171279 · 171279
InChI: InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
InChIKey: NPAXPTHCUCUHPT-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C3C=2N=CC(C)=C3C)C(C)=C(C)C=1
EPA: 1 · 1,10-Phenanthroline, 3,4,7,8-tetramethyl- (1660-93-1)

화학적 성질

light beige fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.