4-methoxy-2-nitroaniline

• ChemBase编号: 69019
• 分子式: C7H8N2O3
• 平均质量: 168.15002
• 单一同位素质量: 168.05349213
• SMILES: Nc1c(cc(cc1)OC)[N+](=O)[O-]
• Canonical SMILES: COc1ccc(c(c1)[N+](=O)[O-])N
• InChI: InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
• InChIKey: QFMJFXFXQAFGBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methoxy-2-nitroaniline
• IUPAC传统名: fast bordeaux GP
• 别名: 2-硝基对茴香胺; 4-氨基-3-硝基苯甲醚; 4-甲氧基-2-硝基苯胺; 4-AMINO-3-NITROANISOLE; 4-Amino-3-nitroanisole; 4-Methoxy-2-nitroaniline; 2-Nitro-p-anisidine; 4-Methoxy-2-nitroaniline; 4-Methoxy-2-nitrobenzenediazonium chloride hemi(zinc chloride) salt; Fast Bordeaux GP salt; Symulon Bordeaux GP Base; Tulabase Fast Bordeaux GP; o-Nitro-p-anisidine; p-Methoxy-o-nitroaniline; 2-Nitro-p-anisidine; 1-Amino-2-nitro-4-methoxybenzene; 2-Nitro-4-methoxyaniline; 2-Nitro-4-methoxybenzenamine; 3-Nitro-4-aminoanisole; 4-Amino-1-methoxy-3-nitrobenzene; 4-Methoxy-2-nitroaniline; 4-Methoxy-2-nitrobenzenamine; 4-Methoxy-2-nitrohbenzenamine; 4-Methoxy-2-nitrophenylamine; 4-Methoxy-o-nitroaniline; Acco Fast Bordeaux GP salt; Amarthol Fast Bordeaux GP Base; Amarthol Fast Bordeaux GP Salt; Atul Fast Bordeaux GP Base; Azobase NAS; Azoene Fast Bordeaux GP Base; Azoene Fast Bordeaux GP Salt; Azofix Bordeaux GP; Azogene Fast Bordeaux G; Bordeaux Base Ciba IV; Bordeaux Base Irga IV; Bordeaux Base NGP; Bordeaux GP Base; Bordeaux GP Salt; Bordeaux GPS Salt; Bordeaux Salt Ciba IV; Bordeaux Salt NGP; Brentamine Fast Bordeaux GP Base; Daito Bordeaux Base GP; Daito Bordeaux Salt GP; Devol Bordeaux B; Devol Bordeaux GP Salt; Diabase Bordeaux GP; Diasalt Bordeaux GP; Durgasol Bordeaux GP Salt; Fast Bordeaux 3NA Base; Fast Bordeaux Base GP; Fast Bordeaux Base J; Fast Bordeaux GDN; Fast Bordeaux GDN base; Fast Bordeaux GP; Fast Bordeaux GP Base; Fast Bordeaux GP-T Base; Fast Bordeaux Salt GP; Fast Bordeaux Salt GPN; Fast Bordeaux Salt J; Hansol Bordeaux GP Salt; Hiltonil Fast Bordeaux GP Base; Hiltosal Fast Bordeaux GP Salt; Hindasol Bordeaux GP Salt; Kako Bordeaux GP Base; Kako Bordeaux GP Salt; Kayaku Fast Bordeaux GP Base; Kayaku Fast Bordeaux Salt GP; Lake Maroon B base; Mitsui Bordeaux GP Base; Mitsui Bordeaux GP Salt; NSC 5509; Naphthanil Bordeaux GP Base; Naphthanil Diazo Bordeaux GP; Naphthosol Fast Bordeaux GP Salt; Naphtoelan Fast Bordeaux GP Base; Naphtoelan Fast Bordeaux GP Salt; Natasol Bordeaux GP Salt; Pharmasol Bordeaux GP; Pharmazoid Bordeaux GP; Sanyo Fast Bordeaux GP Base; Sanyo Fast Bordeaux Salt GP; Shinnippon Fast Bordeaux GP Base; Sugai Fast Bordeaux GP Base

登记号

• CAS号: 96-96-8
• EC号: 202-547-2
• MDL号: MFCD00007152; MFCD00135644
• Beilstein号: 880318
• PubChem SID: 162034748; 24896683; 24886441
• PubChem CID: 66793
• Color Index Number: 37135

理论计算性质

• Acid pKa: 16.51667
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.5766202
• LogD (pH = 7.4): 1.5766326
• Log P: 1.5766327
• 摩尔折射率: 43.5421 cm^3
• 极化性: 15.916087 Å^3
• 极化表面积: 78.39 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate; Methanol
• 外观: Orange Solid
• 熔点: 123-125 °C; 123-126 °C(lit.); 123-126°C; 126-128°C

安全信息

• 保存注意事项: IRRITANT; Very Toxic
• RTECS编号: BY4415000
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 2; 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 26/27/28-33-52/53; R:26/27/28-33-52/53
• 安全公开号: 28-36/37-45-61; S:28-45-61-36/37
• TSCA收录: false; 是
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H300-H310-H330-H373-H402-H412; H300-H310-H330-H373-H412
• GHS警示性声明: P260-P264-P273-P280-P284-P302 + P350; P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 2811 6.1/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (T); 95+%; 97%; 98%; 99%
• 级别: technical
• 线性分子式: CH3OC6H3(NO2)NH2

详细说明

MP Biomedicals - 05202046

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M17403

包装
100, 500 g in glass bottle

Toronto Research Chemicals - N491800

Toxic to some wild and domestic birds and mice. Molluscicidal activity

参考文献

• De Abreu, F. et al.; Bioorg. Med. Chem. 9, 659 (2001)
• Schafer, E.W. et al.; Arch. Environ. Con. Tox. 14, 111 (2001)
• Schafer, E.W. et al.; Arch. Environ. Con. Tox. 12, 355 (1983)