1-メチルピロール
1-Methylpyrrole
基本情報
- CAS
27417-39-6- 標準SMILES
Cn1cccc1- InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N- 分子式
- C5H7N
- 平均分子量
- 81.12 g/mol
- 単同位体質量
- 81.05784923
概要
1-Methylpyrrole is a member of pyrroles.
名称と識別子
- 優先名称
- 1-Methylpyrrole
- IUPAC
- 1-methylpyrrole
- 現地名
- 1-メチルピロール
- 英語名
- 1-Methylpyrrole
- 分子式
- C5H7N
- 分子量
- 81.12
名称と別名
1-Methylpyrrole1-Methyl-1H-pyrroleN-METHYLPYRROLE96-54-81H-Pyrrole, 1-methyl-Pyrrole, 1-methyl-DTXSID3052648NG5GPN98ZGNSC-65440DTXCID4031221RefChem:76411202-513-7
名称をさらに表示
1-メチルピロール1-メチル-1H-ピロールN-メチルピロールＮメチルピロルN‐メチルピロール1H-pyrrole,1-methyl-1-methyl-pyrrolpyrrole,1-methyl-
N-Methyl pyrroleMethylpyrroleN-Methylpyrrol1-methylpyrrolMFCD000053451257247-93-0MR31-Methyl-1H-pyrrole; 1-Methylpyrrole; NSC 65440;
データベース識別子
- CAS
27417-39-6、96-54-8- PubChem CID
- 7304
- DTXSID
DTXSID3052648- ChEMBL
CHEMBL1234459- ChEBI
CHEBI:89012- UNII
- NG5GPN98ZG
- EC Number
- 202-513-7
- Nikkaji
- J2.431.884B、J40.162E
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 4.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 37.2
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyrroles
SpringerMaterials PropertiesSchoenflies notation
LogP
1.21
1.15
Density0.9145 @ 15°C
Flash Point16 °C
Boiling Point
The Guide in the Emergency Response Guidebook is for "Flammable liquid, n.o.s." 112-113 °C
112.00 to 113.00 °C. @ 760.00 mm Hg
112.81 °C @760 [mm Hg]
Melting Point-57.00 °C. @ 760.00 mm Hg
Vapor Pressure
21.4 [mmHg]
15 [mm Hg] @20.2 °C
Physical DescriptionColorless liquid; [Hawley] Bright yellow liquid; [Ullmann]
物理化学的性質
- 融点
- -57 °C · -57 °C (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
Warning
H302 (89.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1523 reports by companies from 19 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: 1H-Pyrrole, 1-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Methylpyrrole: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Flammable liquid; [Hawley] A skin irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] Harmful if swallowed; LD50 (rats) = 1400 mg/kg; Rats inhaling saturated concentration at room temperature die after 1 hour; Severe mucosal irritation and narcosis were observed; [Ullmann]
Hazard Classes and CategoriesAcute Tox. 4 (89.9%)
安全と保護具
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity Data
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
UsesUsed in organic synthesis; [Hawley]
General Manufacturing Information1H-Pyrrole, 1-methyl-: ACTIVE
応用分野
説明1-Methylpyrrole is a fundamental structural unit employed in synthesis, belonging to the class of pyrrole compounds. It can be used as a monomer for preparing thin-film polymers and is utilised in electrochemical research. It also participates in photoaddition and substitution reactions, and is used to prepare hybrid compounds such as 1-methyl-2-(1,2-diphenylethyl)pyrrole.
使用Organic synthesis.
調製方法
純化方法Dry N-methylpyrrole with CaSO4, then fractionally distil it from KOH immediately before use. [Beilstein 20 III/IV 2080, 20/5 V 8.]
上流・下流製品情報
上流原料
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