기본 정보
- 표준 SMILES
COc1ccc2ncccc2c1- InChIKey
HFDLDPJYCIEXJP-UHFFFAOYSA-N- 분자식
- C10H9NO
- 평균 분자량
- 159.18 g/mol
- 단동위원소 질량
- 159.06841391
개요
6-methoxyquinoline is an aromatic ether that is quinoline substituted at position 6 by a methoxy group. It is a member of quinolines and an aromatic ether.
이름 및 식별자
- 우선 이름
- 6-Methoxyquinoline
- IUPAC
- 6-methoxyquinoline
- 영어명
- 6-Methoxyquinoline
- 분자식
- C10H9NO
- 분자량
- 159.18
이름 및 동의어
6-Methoxyquinoline5263-87-6Quinoline, 6-methoxy-Methyl 6-quinolyl ether5S1U3125ADNSC-1954DTXSID9063746FEMA NO. 4640CHEBI:72822RefChem:104961DTXCID0041224226-077-2
이름 더 보기
6-quinanisole6-methoxy-quinolinTIMTEC-BB SBB008352Methoxyquinoline,95%6-Methoxyquinoline6-6-Methoxyquinoline>
6-Methoxy-quinolinep-QuinanisoleMFCD00006800NSC 1954CHEMBL15200UNII-5S1U3125AD6-methoxyquinolin6-methoxy quinoline
데이터베이스 식별자
- CAS
5263-87-6- PubChem CID
- 14860
- DTXSID
DTXSID9063746- ChEMBL
CHEMBL15200- ChEBI
CHEBI:72822- UNII
- 5S1U3125AD
- EC Number
- 226-077-2
- Nikkaji
- J54.285G
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 22.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 149
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesChemical shift
LogP2.2
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.151-1.154 (20º)
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point294-296º
Vapor Pressure0.00323 [mmHg]
Refractive Index1.622-1.625
Physical Description
Melting point = 26.5 deg C; [ChemIDplus] Clear dark red liquid; mp = 18-20 deg C; [Sigma-Aldrich MSDS]
Colourless to pale yellow liquid; heavy sweet aroma
물리화학적 성질
- 녹는점
- 18 · 18-20 °C (lit.)
- 끓는 점
- 140 · 140-146 °C/15 mmHg (lit.)
- 밀도
- 1.15 g/mL · 1.15 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.625(lit.)
- FEMA
- 4640 · 4640 | 6-METHOXYQUINOLINE
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 알코올에 용해됨
- 산도 계수 (pKa)
- 5.03 · 5.03(at 20℃)
- 물리적 상태
- 과립분말
- 색상
- 흰색에서 크림색으로
- 냄새
- 맛이 아주 달콤해요
- 수용성
- 불용성
- JECFA Number
- 2157 · 2157
- BRN
- 115244 · 115244
- InChI
- 1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
- InChIKey
- HFDLDPJYCIEXJP-UHFFFAOYSA-N
- SMILES
- COc1ccc2ncccc2c1
- LogP
- 2.17 · 2.17
- NIST
- 6 · Quinoline, 6-methoxy-(5263-87-6)
- EPA
- 6 · Quinoline, 6-methoxy- (5263-87-6)
화학적 성질
colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (20%): 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 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and CategoriesAcute Tox. 4 (20%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29334990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-36-26
- F 고인화성물질
- 8
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationQuinoline, 6-methoxy-: INACTIVE
응용 분야
용도6-Methoxyquinoline is a useful sythetic intermediate
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: An aromatic ether that is quinoline substituted at position 6 by a methoxy group.
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