基本情報
- CAS
696-30-0- 標準SMILES
CC(C)c1ccncc1- InChIKey
FRGXNJWEDDQLFH-UHFFFAOYSA-N- 分子式
- C8H11N
- 平均分子量
- 121.18 g/mol
- 単同位体質量
- 121.08914935
概要
structure in first source
名称と識別子
- 優先名称
- 4-Isopropylpyridine
- IUPAC
- 4-propan-2-ylpyridine
- 現地名
- 4-イソプロピルピリジン
- 英語名
- 4-Isopropylpyridine
- 分子式
- C8H11N
- 分子量
- 121.18
名称と別名
4-Isopropylpyridine696-30-0Pyridine, 4-(1-methylethyl)-4-(1-Methylethyl)pyridineNC9488R41ODTXSID7061013RefChem:99512DTXCID3046530211-794-54-propan-2-ylpyridine4-Isopropyl-pyridineMFCD00039719
名称をさらに表示
4-イソプロピルピリジン4-isopropyl puridineIsopropylpyridine,98%4-Isopropylpyridine>gamma-Isopropylpyridine4-(1-methylethyl)-pyridin
4-iso-PropylpyridinePyridine, 4-isopropyl-4-(propan-2-yl)pyridineEINECS 211-794-5UNII-NC9488R41O4-(1-methylethyl)-pyridineSCHEMBL33167SCHEMBL40731
データベース識別子
- CAS
696-30-0- PubChem CID
- 69674
- DTXSID
DTXSID7061013- UNII
- NC9488R41O
- EC Number
- 211-794-5
- Nikkaji
- J46.543G
物性
構造計算による物性
- XLogP
- 2
- 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
- 9
- 形式電荷
- 0
- 複雑度
- 72.6
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesDensity
Flavoring AgentsEU Flavoring substances
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -54.9 °C · -54.9°C
- 沸点
- 178 °C · 178 °C
- 比重(密度)
- 0 · 0,93 g/cm3
- 屈折率
- 1.494 to · 1.4940 to 1.4970
- 闪点
- 66 °C · 66°C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- clear liquid
- 酸解離定数(Pka)
- 1 · pK1:6.02(+1) (25°C)
- 色
- Colorless to Almost colorless
- InChI
- InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3
- InChIKey
- FRGXNJWEDDQLFH-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C(C)C)=C1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 4-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2933.39.9200
- risk_code
- 20/21/22-36/37/38
- 消防法
- 危-4-2-III
- safety_code
- 26-36/37/39
化学と産業
用途と製造
UsesUsed as a flavoring agent; [ExPub: EFSA]
General Manufacturing InformationPyridine, 4-(1-methylethyl)-: INACTIVE
応用分野
使用4-Isopropylpyridine serves as a reagent in the synthesis of Bis(alkylpyridinium) with antifungal and cytotoxic properties.
上流・下流製品情報
上流原料
サプライヤー76 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司
関連反応
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化合物ノート
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