8.22256

Aniline

for synthesis

• 別名: Aniline, Aminobenzene, Phenylamine, Benzenamine
• 実験式（ヒル表記法）: C₆H₇N
• CAS番号: 62-53-3
• 分子量: 93.13
• MDL番号: MFCD00007629
• UNSPSCコード: 12352116
• EC Index Number: 200-539-3
• NACRES: NA.22
• bp: 184 °C/1013 hPa

特性

• グレード: for synthesis
• 品質水準: 200
• 蒸気圧: 0.5 hPa ( 20 °C)
• アッセイ: ≥99.0% (GC)
• フォーム: liquid
• 自己発火温度: 540 °C
• 有効性: 840 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.2-11 % (v/v)
• dilution: (for synthesis)
• pH: 8.8 (20 °C, 36 g/L in H₂O)
• bp: 184 °C/1013 hPa
• mp: -6.2 °C
• 転移温度: flash point 76 °C
• 溶解性: 36 g/L
• 密度: 1.02 g/cm³ at 20 °C
• 保管温度: 2-30°C
• SMILES記法: Nc1ccccc1
• InChI: 1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
• InChI Key: PAYRUJLWNCNPSJ-UHFFFAOYSA-N

詳細

アプリケーション

• One pot conversion of phenols and anilines to aldehydes and ketones: Exploiting α gem boryl carbanions, this study offers a method compatible with a diverse range of phenols and anilines, facilitating simpler synthetic pathways in organic chemistry (Das et al., 2024).
• In-silico-assisted derivatization of triarylboranes: This research discusses a catalytic method for the reductive alkylation of aniline-derived amino acids, improving functional-group compatibility in peptide modification (Hisata et al., 2024).
• C–heteroatom coupling with electron-rich aryls: Utilizing nickel catalysis and light, this method enhances the synthesis of anilines and aryl ethers, contributing to more efficient organic synthesis processes (Cornella et al., 2024).

アナリシスノート

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.020 - 1.022
Identity (IR): passes test

安全性情報

• ピクトグラム: GHS06,GHS08,GHS05,GHS09
• シグナルワード: Danger
• 危険有害性情報: H301 + H311 + H331,H317,H318,H341,H351,H372,H410
• 注意書き: P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Dam. 1 - Muta. 2 - Skin Sens. 1 - STOT RE 1
• ターゲットの組織: Blood
• 保管分類コード: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• 引火点(°F): 158.0 °F - closed cup
• 引火点(℃): 70 °C - closed cup