キナルジン
2-Methylquinoline
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基本情報
- CAS
27601-00-9- 標準SMILES
Cc1ccc2ccccc2n1- InChIKey
SMUQFGGVLNAIOZ-UHFFFAOYSA-N- 分子式
- C10H9N
- 平均分子量
- 143.18 g/mol
- 単同位体質量
- 143.07349929
概要
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.
名称と識別子
- 優先名称
- 2-Methylquinoline
- IUPAC
- 2-methylquinoline
- 現地名
- キナルジン
- 英語名
- Quinaldine
- 分子式
- C10H9N
- 分子量
- 143.19
名称と別名
2-METHYLQUINOLINEQuinaldine91-63-4KhinaldinChinaldineQuinoline, 2-methyl-DTXSID3040271NSC-3397DVG30M0M87CHEBI:132813DTXCID1020271RefChem:910109
名称をさらに表示
キナルジン2-メチルキノリン2-メチルキノリン標準品2‐メチルキノリン標準品キナルジン, 97+%QuinaL2-Quinaldine2-Methylpuinoiline2-METHYLQUINOLINESQuildine
202-085-1Methylquinoline2-Methyl-quinoline2-MethylchinolinCCRIS 1155NSC 3397EINECS 202-085-1BRN 0110309
データベース識別子
- 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
物性
構造計算による物性補完中
- XLogP
- 2.6
- 極性表面積
- 12.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 133
実験および物理化学的性質
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.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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]
危険有害性情報
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.
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
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
応用分野
用途有機合成原料。
使用Quinaldine is an anaesthetic used in fish transportation. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.
一般的な説明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.
調製方法
High-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.
Dry it with Na2SO4 or by refluxing with BaO, then fractionally distil it under reduced pressure and redistil it from zinc dust. Purify it further by conversion to its phosphate (m 220o) or picrate (m 192o) from which after recrystallisation, the free base is regenerated. [Packer et al. J Am Chem Soc 80 905 1958.] Its ZnCl2 complex can be used for the same purpose. [Beilstein 20 III/IV 3454, 20 V 375.]
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