1,5-ジメチル-2-ピロリドン

1,5-Dimethylpyrrolidin-2-one

HCID 101194CAS 5075-92-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CCC(=O)N1C
InChIKey: FILVIKOEJGORQS-UHFFFAOYSA-N
分子式: C6H11NO
平均分子量: 113.16 g/mol
単同位体質量: 113.08406397

名称と識別子

優先名称: 1,5-Dimethylpyrrolidin-2-one
IUPAC: 1,5-dimethylpyrrolidin-2-one
現地名: 1,5-ジメチル-2-ピロリドン
英語名: 1,5-Dimethyl-2-pyrrolidinone
分子式: C6H11NO
分子量: 113.16

名称と別名

1,5-Dimethylpyrrolidin-2-one2-Pyrrolidinone, 1,5-dimethyl-EINECS 225-783-8AI3-11312DTXSID60871112NSC 527837RefChem:417281DTXCID60818784225-783-81,5-Dimethyl-2-pyrrolidinone5075-92-3MFCD00003194

名称をさらに表示

1,5-ジメチルピロリジン-2-オン1,5-ジメチル-2-ピロリジノン1,5-ジメチル-2-ピロリドン1,5-Dimethyl-2-pyrrolizinone1,5-dimethyl-2-pyrolidineone5,N-Dimethyl-2-pyrrolidinone1,5-Dimethylpyrrolidine-2-one1 5-DIMETHYL-2-PYRROLIDINONE 95%

1,5-dimethyl-2-pyrrolidoneNSC527837SCHEMBL2621261,5-dimethyl-pyrrolidin-2-oneA8282831,5-Dimethyl-2-pyrrolidinone, 95%NSC-527837D86499

データベース識別子

CAS: 5075-92-3
PubChem CID: 101194
DTXSID: DTXSID60871112
EC Number: 225-783-8
Nikkaji: J203.280E

物性

構造計算による物性

XLogP: 0.2
極性表面積: 20.3 Å²
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: 111

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

LogP-0.07

物理化学的性質

沸点: 215 · 215-217 °C/743 mmHg (lit.)
比重(密度): 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.465(lit.)
闪点: 193 °F · 193 °F
酸解離定数(Pka): -0.35 · -0.35±0.40(Predicted)
外見: liquid
InChI: InChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3
InChIKey: FILVIKOEJGORQS-UHFFFAOYSA-N
SMILES: N1(C)C(C)CCC1=O
EPAの化学物質情報: 2 · 2-Pyrrolidinone, 1,5-dimethyl- (5075-92-3)

安全と法規制

GHS分類

GHS Classification · 4 件

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 53 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 · 1 件

2-Pyrrolidinone, 1,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1,5-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)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2022: 175 lb

上流・下流製品情報

上流原料

4,4'-カルボニルビス(フタル酸)ニッケル

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