基本情報
- 標準SMILES
Cc1nccn1Cc1ccccc1- InChIKey
FBHPRUXJQNWTEW-UHFFFAOYSA-N- 分子式
- C11H12N2
- 平均分子量
- 172.23 g/mol
- 単同位体質量
- 172.10004839
名称と識別子
- 優先名称
- 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
- IUPAC
- 1-benzyl-2-methylimidazole
- 現地名
- N-ベンジル-2-メチルイミダゾール
- 英語名
- 1-Benzyl-2-methyl-1H-imidazole
- 分子式
- C11H12N2
- 分子量
- 172.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
13750-62-4- PubChem CID
- 83699
- DTXSID
DTXSID4065604- ChEMBL
CHEMBL1269154- UNII
- 5V6JMQ38AM
- EC Number
- 237-333-8
- Nikkaji
- J102.387J
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 17.8 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
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 152
実験および物理化学的性質
物理化学的性質
- 融点
- 57 °C · 57°C
- 沸点
- 125 · 125-127 °C/3 mmHg (lit.)
- 比重(密度)
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.5645(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- clear liquid
- 酸解離定数(Pka)
- 7.54 · 7.54±0.31(Predicted)
- 色
- Colorless to Yellow
- 水溶解度
- 不溶性
- InChI
- 1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
- InChIKey
- FBHPRUXJQNWTEW-UHFFFAOYSA-N
- SMILES
- Cc1nccn1Cc2ccccc2
- CAS データベース
- 13750 · 13750-62-4(CAS DataBase Reference)
- NISTの化学物質情報
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)-(13750-62-4)
- EPAの化学物質情報
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)- (13750-62-4)
化学的性質
化学的特性clear light yellow to amber liquid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (15%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (77.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (25.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: 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.
法規制情報
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: 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.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NI7722500
- hs_code
- 29332900
- risk_code
- 22-36/37/38
- 化審法
- (5)-416
- hazard_code
- Xn,Xi
- safety_code
- 26-36-24/25
- Hazard Classifications
- Acute Tox. 4 OralEye 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
応用分野
使用1-Benzyl-2-methylimidazole may be employed as catalyst to investigate the effect of catalysts on the curing reaction of the biphenyl epoxy (4,4′-diglycidyloxy-3,3′,5,5′-tetramethyl biphenyl)dicyclopentadiene type phenolic resin system.
一般的な説明1-Benzyl-2-methylimidazole is a nitrogen heterocycle and forms mixed ligand Pt(II) complexes. 1-Benzyl-2-methylimidazole on treatement with ammonia and sodium yields 2-methylimidazole. Deposition of plasma-polymerized 1-benzyl-2-methylimidazole (PPBMI) thin films onto glass substrates by glow discharge technique have been reported.
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