3,5-ルチジン
3,5-Dimethylpyridine
基本情報
- CAS
591-22-0- 標準SMILES
Cc1cncc(C)c1- InChIKey
HWWYDZCSSYKIAD-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
- 3,5-Dimethylpyridine
- IUPAC
- 3,5-dimethylpyridine
- 現地名
- 3,5-ルチジン
- 英語名
- 3,5-Lutidine
- 分子式
- C7H9N
- 分子量
- 107.15
名称と別名
3,5-DIMETHYLPYRIDINE3,5-Lutidine591-22-0Pyridine, 3,5-dimethyl-DTXSID50522546Q4YPZ045VNSC-60736DTXCID0030825RefChem:91617209-708-63,5-dimethyl-pyridineMFCD00006404
名称をさらに表示
3,5-ルチジン3,5-ジメチルピリジン3，5ルチジン3,5‐ルチジン35LLutidine,98%3,5-Lutidine>3,5-Lutidine,99%3,5-LUTIDINE, 98+%3,5-Dimetylpyridine3,5-dimethyl-pyridin
3,5-Dimethylpyridine; NSC 607363,5-LutdcineNicotine Impurity 6UNII-6Q4YPZ045V3,5 lutidineNSC60736EINECS 209-708-6NSC 60736
データベース識別子
- CAS
591-22-0- PubChem CID
- 11565
- DTXSID
DTXSID5052254- UNII
- 6Q4YPZ045V
- EC Number
- 209-708-6
- Nikkaji
- J6.756C
物性
構造計算による物性
- XLogP
- 1.8
- 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
- 8
- 形式電荷
- 0
- 複雑度
- 62.8
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.74
Flavoring AgentsEU Flavoring substances
Vapor Pressure1.74 [mmHg]
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -9 °C · -9 °C (lit.)
- 沸点
- 169 · 169-170 °C (lit.)
- 比重(密度)
- 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
- 蒸気圧
- 1.5 mm · 1.5 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.504(lit.)
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]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 11 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, 3,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- 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)
REACH registered substance: 3,5-dimethylpyridine (EC: 209-708-6)
3,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion and inhalation; Harmful by skin absorption; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
化学と産業
用途と製造
U.S. Production2023: <75,000 lb
General Manufacturing InformationPyridine, 3,5-dimethyl-: ACTIVE
応用分野
使用3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.
調製方法
純化方法Dry 3,5-lutidine with sodium and fractionally distil it through a Todd column (p 11) packed with glass helices. Dissolve (100mL) in dilute HCl (1:4) and steam distil this until 1L of distillate is collected. Excess conc NaOH is added to the residue which is again steam distilled. The base is extracted from the distillate, using diethyl ether. The extract is dried over K2CO3, and distilled. It is then fractionally crystallised by partial freezing. The hydrochloride has m 229o(sublimes at 190-231o), and the picrate has m 242-243o(dec, from H2O), 249-250o(dec, from AcOH). [Beilstein 20 II 161, 20 III/IV 2788, 20/6 V 60.]
上流・下流製品情報
上流原料
下流製品
関連反応
58 件
化合物ノート
読み込み中…