퀴날딘
2-Methylquinoline
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기본 정보
- CAS
27601-00-9- 표준 SMILES
Cc1ccc2ccccc2n1- InChIKey
SMUQFGGVLNAIOZ-UHFFFAOYSA-N- 분자식
- C10H9N
- 평균 분자량
- 143.18 g/mol
- 단동위원소 질량
- 143.07349929
개요
Quinaldine appears as a colorless oily liquid darkening to red-brown on exposure to air. Flash point 175 °F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.
이름 및 식별자
- 우선 이름
- 2-Methylquinoline
- IUPAC
- 2-methylquinoline
- 현지명
- 퀴날딘
- 영어명
- Quinaldine
- 분자식
- C10H9N
- 분자량
- 143.19
이름 및 동의어
2-METHYLQUINOLINEQuinaldine91-63-4KhinaldinChinaldineQuinoline, 2-methyl-DTXSID3040271NSC-3397DVG30M0M87CHEBI:132813DTXCID1020271RefChem:910109
이름 더 보기
퀴날딘QuinaL2-Quinaldine2-Methylpuinoiline2-METHYLQUINOLINESQuildine
202-085-1Methylquinoline2-Methyl-quinoline2-MethylchinolinCCRIS 1155NSC 3397EINECS 202-085-1BRN 0110309
데이터베이스 식별자
- CAS
27601-00-9、91-63-4- PubChem CID
- 7060
- DTXSID
DTXSID3040271- ChEMBL
CHEMBL194931- ChEBI
CHEBI:132813- UNII
- DVG30M0M87
- EC Number
- 202-085-1、639-559-6
- Nikkaji
- J4.343E
물성
구조 계산 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 133
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Methyl quinoline) -> IFRA transparency List
LogP2.59
Density1.0585 at 68 °F (NTP, 1992) - Denser than water; will sink
Flash Point175 °F (NTP, 1992)
Boiling Point
477.7 °F at 760 mmHg (NTP, 1992)
246.00 to 248.00 °C. @ 760.00 mm Hg
Melting Point
28 °F (NTP, 1992)
-1.5 °C
Vapor Pressure0.00946 [mmHg]
Physical Description
Quinaldine appears as a colorless oily liquid darkening to red-brown on exposure to air. Flash point 175 °F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312 (26.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 392 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Quinoline, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Quinoline, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quinoline, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17554
Quinaldine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Quinolines: Human health tier II assessment
Fire HazardsThis compound is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Acute exposure to this compound will result in irritation to skin and mucous membranes.
Hazards SummaryA mild skin irritant; [RTECS] A skin and mucous membrane irritant; [NTP] A skin and strong eye irritant; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Quinoline.
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesFound in coal tar; Used to transport fish (anesthetic); [Merck Index] Used to make dyes, pharmaceuticals, fine organic chemicals, and acid-base indicators; [NTP]
U.S. Production2023: 50,000 - <75,000 lb
Industry UsesNot Known or Reasonably Ascertainable
Use ClassificationFragrance Ingredients
General Manufacturing Information
Not Known or Reasonably Ascertainable
Quinoline, 2-methyl-: ACTIVE
응용 분야
용도Quinaldine is an anaesthetic used in fish transportation. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.
일반 설명A colorless oily liquid darkening to red-brown on exposure to air. Flash point 175°F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.
제조 방법
생산 방법High-temperature coal tar contains an average of 0.2% quinaldine. It is recovered from the quinoline base mixture by rectification and hydration. Quinaldine can be synthesized by the Skraup method from aniline and crotonaldehyde with sulfuric acid in the presence of a dehydrogenating agent.
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