4-エチルピリジン
4-Ethylpyridine
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基本情報
- CAS
536-75-4- 標準SMILES
CCc1ccncc1- InChIKey
VJXRKZJMGVSXPX-UHFFFAOYSA-N- 分子式
- C7H9N
- 平均分子量
- 107.15 g/mol
- 単同位体質量
- 107.07349929
名称と識別子
- 優先名称
- 4-Ethylpyridine
- IUPAC
- 4-ethylpyridine
- 現地名
- 4-エチルピリジン
- 英語名
- 4-Ethylpyridine
- 分子式
- C7H9N
- 分子量
- 107.15
名称と別名
4-ETHYLPYRIDINE536-75-4Pyridine, 4-ethyl-.gamma.-Ethylpyridine4-(C2H5)-pyridineMFCD000064503KW0SE2TL5NSC-8224-Ethylpyridine; NSC 822; NSC 965; gamma-Ethylpyridine4-ethyl pyridine4-Ethyl-pyridine151103-55-8
名称をさらに表示
4-エチルピリジンγ-エチルピリジンエチルピリジン4-エチルピリジン, 98%ETHYLPYRIDINE4-ethyl-pyridin4-ethvlpvridineg-Ethylpyridine4-ETHANOLPYRIDINE4-Ethylpyridine>Pyridine, 4-ethyl-GAMMA-ETHYLPYRIDINE4-Ethylpyridine,98%
4-Ethylpyridine, 98%Pyridine, 4-ethyl-, radical ion(1+) (9CI)SCHEMBL142084-ETHYLPYRIDINE [MI]CHEMBL22977SCHEMBL289086SCHEMBL289087SCHEMBL738655
データベース識別子
- CAS
536-75-4、71077-16-2- PubChem CID
- 10822
- DTXSID
DTXSID60873555- ChEMBL
CHEMBL22977- UNII
- 3KW0SE2TL5
- EC Number
- 208-646-7
- Nikkaji
- J6.706G
物性
構造計算による物性補完中
- XLogP
- 1.6
- 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
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 55.4
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesBoiling point
LogP1.65
Flavoring AgentsEU Flavoring substances
Vapor Pressure2.27 [mmHg]
Physical DescriptionLiquid with an obnoxious odor; Turns brown if not pure; [Merck Index] Colorless to pale yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -91 °C · -91 °C
- 沸点
- 168 °C · 168 °C (lit.)
- 比重(密度)
- 0.942 g/mL · 0.942 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.501(lit.)
- 闪点
- 118 °F · 118 °F
- 貯蔵温度
- Flammables area
- 溶解性
- 107 g/リットル · 107g/リットル
- 外見
- 液体
- 酸解離定数(Pka)
- 1 · pK1:5.87(+1) (25°C)
- 色
- 無色透明～黄色
- PH
- 10 · 10 (100g/l, H2O, 20℃)
- 水溶解度
- 34 g/リットル · 34g/リットル
- Merck
- 14 · 14,3849
- BRN
- 106481 · 106481
- Henry's Law Constant
- 1.2 · 1.2×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
- Dielectric constant
- 10.98 · 10.98
- InChI
- 1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3
- InChIKey
- VJXRKZJMGVSXPX-UHFFFAOYSA-N
- SMILES
- CCc1ccncc1
- LogP
- 1.65 · 1.650
- CAS データベース
- 536 · 536-75-4(CAS DataBase Reference)
- NISTの化学物質情報
- 4 · 4-(C2H5)-pyridine(536-75-4)
- EPAの化学物質情報
- 4 · 4-Ethylpyridine (536-75-4)
化学的性質
化学的特性clear colorless to yellowish liquid. Very powerful, sweet-green, in the pure state nauseating, in dilution slightly minty odour with sweet-herbaceous, mildly tarrypungent undertones. There is a certain similarity between the odour of mushrooms and dry-rotted wood. In suitable dilution, actually, a pleasant odour.
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Pyridine, 4-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
4-Ethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] A skin, respiratory tract, and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2924 3/PG 3
- hs_code
- 29333999
- risk_code
- 10-36/37/38-20/21/22
- 化審法
- (5)-3683, (9)-222
- 消防法
- 危-4-2-III
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-16
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
UsesPresent in California petroleum; [Merck Index] Flavoring agent that naturally occurs in pork; [EFSA]
General Manufacturing InformationPyridine, 4-ethyl-: ACTIVE
応用分野
使用4-Ethylpyridine is used to study the influence of counter-anion concentration on analyte retention.
一般的な説明4-Ethylpyridine undergoes metal-ligand interaction with Zn-porphyrin which can be studied by mass spectrometry.
調製方法
純化方法Dry 4-ethylpyridine with BaO, and fractionally distil it. Also purified by converting to the picrate, recrystalising and the free base is regenerated and distilled. [Beilstein 20/6 V 10.]
上流・下流製品情報
上流原料
下流製品
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