基本情報
- CAS
589-93-5- 標準SMILES
Cc1ccc(C)nc1- InChIKey
XWKFPIODWVPXLX-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
- 2,5-Dimethylpyridine
- IUPAC
- 2,5-dimethylpyridine
- 現地名
- 2,5-ルチジン
- 英語名
- 2,5-Dimethylpyridine
- 分子式
- C7H9N
- 分子量
- 107.15
名称と別名
2,5-DIMETHYLPYRIDINE2,5-Lutidine589-93-5Pyridine, 2,5-dimethyl-2,5-dimethyl-pyridineMFCD000063436L09RM76RHNSC-5089NSC 5089EINECS 209-666-9UNII-6L09RM76RHNSC5089
名称をさらに表示
2,5-ルチジン2，5ルチジン2,5-ジメチルピリジン25L2,5-Lutidine>2,5-Lutidine,97%2,5-Lutidine 95%2,5-LUTIDINE 98+%a,d-Dimethylpyridine2,5-dimethyl-pyridinpyridine,2,5-dimethyl-
5-methyl-2-methylpyridine2,5-Lutidine, 95%SCHEMBL31030SCHEMBL192453SCHEMBL193940SCHEMBL194022SCHEMBL830916WLN: T6NJ B1 E1
データベース識別子
- CAS
589-93-5- PubChem CID
- 11526
- DTXSID
DTXSID0060436- UNII
- 6L09RM76RH
- EC Number
- 209-666-9
- Nikkaji
- J6.752K
物性
構造計算による物性
- 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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 70.8
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesBoiling point
Vapor Pressure3.36 [mmHg]
Physical Description
Colorless to light yellow liquid; [Jubilant Life Sciences MSDS]
Liquid
物理化学的性質
- 融点
- 15 °C · −15 °C(lit.)
- 沸点
- 157 °C · 157 °C(lit.)
- 比重(密度)
- 0.926 g/mL · 0.926 g/mL at 25 °C(lit.)
- 蒸気圧
- 2.4 mm · 2.4 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.499(lit.)
- 闪点
- 118 °F · 118 °F
- 酸解離定数(Pka)
- 6.4 · 6.4(at 25℃)
- 外見
- clear liquid
- 色
- Colorless to Light orange to Yellow
- 水溶解度
- 77 g/L · 77g/L(23℃)
- 比熱容量
- 1.72 J/ · Cp(liquid): 1.72 J/(g·K), at 25℃
安全と法規制
GHS分類
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationChemical: Pyridine, 2,5-dimethyl-
Hazards SummaryCauses changes in clotting factors, thrombocytopenia, and effects on true cholinesterase in 9-week intermittent oral studies of rats; [RTECS] An irritant; Harmful by ingestion; [Jubilant Life Sciences MSDS] See Pyridine.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OK9625000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2933399990
- risk_code
- 10-20/21/22-36/37/38
- 化審法
- (5)-712
- 消防法
- 危-4-2-III
- hazard_code
- Xn,F,Xi
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3.2
- packing_group
- III
化学と産業
用途と製造
UsesUsed as an intermediate in drug manufacture; [Jubilant Life Sciences MSDS]
General Manufacturing InformationPyridine, 2,5-dimethyl-: ACTIVE
応用分野
使用2,5-Lutidine was used to displace CO from the haem iron.
一般的な説明The FT-IR and FT-Raman spectra of 2,5-lutidine was studied.
調製方法
純化方法Steam distil the lutidine from a solution containing 1-2 equivalents of 20% H2SO4 until about 10% of the base has been carried over with the non-basic impurities, then the acidic solution is made alkaline, and the base is separated, dried with NaOH and fractionally distilled twice. Dry the distillate with Na and fractionally distil it through a Todd column (p 11) packed with glass helices. The hydrochloride has m 219o(dec), and the picrate has m 170.5o (from EtOH or H2O). [Beilstein 20 H 244, 20 II 160, 20 III/IV 2774, 20/6 V 27.]
上流・下流製品情報
上流原料
関連反応
18 件
化合物ノート
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