基本情報
- CAS
1631-25-0- 標準SMILES
O=C1C=CC(=O)N1C1CCCCC1- InChIKey
BQTPKSBXMONSJI-UHFFFAOYSA-N- 分子式
- C10H13NO2
- 平均分子量
- 179.22 g/mol
- 単同位体質量
- 179.09462866
名称と識別子
- 優先名称
- 1H-Pyrrole-2,5-dione, 1-cyclohexyl-
- IUPAC
- 1-cyclohexylpyrrole-2,5-dione
- 現地名
- N-シクロヘキシルマレイミド
- 英語名
- N-Cyclohexylmaleimide
- 分子式
- C10H13NO2
- 分子量
- 179.22
名称と別名
名称をさらに表示
データベース識別子
- CAS
1631-25-0- PubChem CID
- 74203
- DTXSID
DTXSID4061834- ChEMBL
CHEMBL4547552- UNII
- 3BD6JKD4Q7
- EC Number
- 216-630-6
- Nikkaji
- J93.736C
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 37.4 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
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 246
物理化学的性質
- 融点
- 89 · 89-91 °C (lit.)
- 沸点
- 132 °C · 132 °C / 17mmHg
- 比重(密度)
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- 蒸気圧
- 80 Pa · 80Pa at 25℃
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- Insoluble in water
- 外見
- powder to lump
- 酸解離定数(Pka)
- -2.26 · -2.26±0.20(Predicted)
- 色
- White to Almost white
- 水溶解度
- 260 mg/L · 260mg/L at 25℃
- InChI
- InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
- InChIKey
- BQTPKSBXMONSJI-UHFFFAOYSA-N
- SMILES
- N1(C2CCCCC2)C(=O)C=CC1=O
- LogP
- 2.57 at · 2.57 at 23℃
- CAS データベース
- 1631 · 1631-25-0(CAS DataBase Reference)
- EPAの化学物質情報
- 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1-cyclohexyl- (1631-25-0)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (30.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29251900
- risk_code
- 36/37/38
- 化審法
- (5)-5862
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1ASTOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
応用分野
使用N-Cyclohexylmaleimide (CHMI, NCMI) may be used for the preparation of hyperbranched copolymers of p-(chloromethyl)styrene (CMS) and NCMI, via atom transfer radical copolymerization reaction.
一般的な説明N-Cyclohexylmaleimide (CHMI, NCMI) is a cyclic imide. Diels-Alder reactions of 9-hydroxymethylanthracene with CHMI catalyzed by hydrophobic nanospace confined within the self-assembled Pd6 open cage bearing triimidazole walls have been reported. It undergoes Diels-Alder reactions with various aromatic hydrocarbons promoted by self-assembled coordination cage. This cage acts as nanometer-sized molecular flask and hence promotes this reaction. CHMI is reported to undergo radical polymerization readily under various polymerization conditions to afford poly(CHMI), having excellent thermal stability.
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
化合物ノート
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