基本情報
- 標準SMILES
CC1=NCCO1- InChIKey
GUXJXWKCUUWCLX-UHFFFAOYSA-N- 分子式
- C4H7NO
- 平均分子量
- 85.1 g/mol
- 単同位体質量
- 85.05276385
名称と識別子
- 優先名称
- 2-Methyl-2-oxazoline
- IUPAC
- 2-methyl-4,5-dihydro-1,3-oxazole
- 現地名
- 2-メチル-2-オキサゾリン
- 英語名
- 2-Methyl-2-oxazoline
- 分子式
- C4H7NO
- 分子量
- 85.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
1120-64-5- PubChem CID
- 70713
- DTXSID
DTXSID40870845- ChEBI
CHEBI:53614- EC Number
- 214-316-3
- Nikkaji
- J24.397C
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 21.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 77
実験および物理化学的性質
物理化学的性質
- 沸点
- 109.5 · 109.5-110.5 °C(lit.)
- 比重(密度)
- 1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.434(lit.)
- 闪点
- 68 °F · 68 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- 液体
- 酸解離定数(Pka)
- 5.77 · 5.77±0.50(Predicted)
- 比重
- 1.01 · 1.01
- 色
- 無色透明~微かな黄色
- 水溶解度
- 水に溶けます (25°C で 7051 mg/L)。
- BRN
- 104227 · 104227
- InChI
- InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
- InChIKey
- GUXJXWKCUUWCLX-UHFFFAOYSA-N
- SMILES
- O1CCN=C1C
- LogP
- 0.058 · 0.058 (est)
- CAS データベース
- 1120 · 1120-64-5(CAS DataBase Reference)
化学的性質
化学的特性CLEAR COLOURLESS TO VERY FAINT YELLOW LIQUID
安全と法規制
GHS分類
GHS Classification
Danger
H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
安全データ
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29339900
- risk_code
- 11
- 消防法
- 危-4-1-II
- hazard_code
- F
- safety_code
- 23-24/25
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
使用2-Methyl-2-oxazoline is used in cationic polymerization of a series of linear 2-alkyl-2-oxazolines under microwave irradiation. It undergoes polymerization with 2-butyl-2-oxazoline to form poly(2-oxazoline) block copolymer. It undergoes cationic ring-opening polymerization with 2-(dec-9-enyl)-2-oxazoline to yield copoly(2-oxazoline)s. It react with N'-phenyl-benzohydrazonoyl chloride to get 4-(2-hydroxyethyl)-5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium chloride.
一般的な説明2-Methyl-2-oxazoline undergoes polymerization with 2-butyl-2-oxazoline to form poly(2-oxazoline) block copolymer. It undergoes cationic ring-opening polymerization with 2-(dec-9-enyl)-2-oxazoline to yield copoly(2-oxazoline)s.
上流・下流製品情報
上流原料
サプライヤー50 社
補足説明
定義ChEBI: A 5-membered heterocyclic compound, which is substituted in the 2-position with a methyl group and which is often used as a monomer in polymerisation reactions.
関連反応
関連ノート
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