2-amino-5-nitrophenol

• ChemBase编号: 68269
• 分子式: C6H6N2O3
• 平均质量: 154.12344
• 单一同位素质量: 154.03784206
• SMILES: c1(c(ccc(c1)[N+](=O)[O-])N)O
• Canonical SMILES: [O-][N+](=O)c1ccc(c(c1)O)N
• InChI: InChI=1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2
• InChIKey: DOPJTDJKZNWLRB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-5-nitrophenol
• IUPAC传统名: 2-amino-5-nitrophenol
• 别名: 2-羟基-4-硝基苯胺; 2-氨基-5-硝基苯酚; 2-Amino-5-nitrophenol; 3-Hydroxy-4-aminonitrobenzene; 3-Nitro-6-aminophenol; 5-Nitro-2-amino-1-hydroxybenzene; 5-Nitro-2-aminophenol; NSC 7087; 2-Amino-5-nitrophenol; 2-AMINO-5-NITRO PHENOL; 2-Hydroxy-4-nitroaniline; 4-Amino-3-hydroxynitrobenzene

登记号

• CAS号: 121-88-0
• EC号: 204-503-8
• MDL号: MFCD00007692
• Beilstein号: 972974
• PubChem SID: 24858130; 162034001
• PubChem CID: 4984721

理论计算性质

• Acid pKa: 8.694653
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.7804032
• LogD (pH = 7.4): 0.75938606
• Log P: 0.7807387
• 摩尔折射率: 39.0598 cm^3
• 极化性: 14.028834 Å^3
• 极化表面积: 89.39 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 198-200(dec.)°C; 198-202 °C (dec.)(lit.); ca 200°C dec.

安全信息

• 保存注意事项: IRRITANT; Irritant/Mutagenic/Light Sensitive/Store under Argon
• RTECS编号: SJ6302500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38; 36/37/38-68
• 安全公开号: 26-36/37
• TSCA收录: false; 是
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H341-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280H-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 90%; 90-95% (NT); 95+%; 96%
• 级别: technical; technical grade
• 线性分子式: H2NC6H3(NO2)OH

详细说明

MP Biomedicals - 05212091

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 303585

包装
25, 100 g in glass bottle
Application
Reactant for:
• Diazotation and coupling reactions1
• Preparation of biologically and pharmacologically active molecules2

Sigma Aldrich - A70607

包装
25 g in glass bottle
Application
Reactant for:
• Diazotation and coupling reactions1
• Preparation of biologically and pharmacologically active molecules2

Sigma Aldrich - 08930

Application
Reactant for:
• Diazotation and coupling reactions1
• Preparation of biologically and pharmacologically active molecules2