pyrene-1-carbaldehyde

• ChemBase编号: 79710
• 分子式: C17H10O
• 平均质量: 230.2607
• 单一同位素质量: 230.07316494
• SMILES: O=Cc1ccc2ccc3c4c2c1ccc4ccc3
• Canonical SMILES: O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
• InChIKey: RCYFOPUXRMOLQM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyrene-1-carbaldehyde
• IUPAC传统名: 1-pyrenealdehyde
• 别名: 1-芘甲醛; 1-Formylpyrene; Pyrene-1-carboxaldehyde; 1-Pyrenealdehyde; 1-Pyrenecarbaldehyde; 3-Formylpyrene; 3-Pyrenealdehyde; 3-Pyrenecarboxaldehyde; 3-Pyrenylaldehyde; NSC 30811; 1-Pyrenecarboxaldehyde; Pyrene-1-carbaldehyde; 1-Pyrenecarboxaldehyde

登记号

• CAS号: 3029-19-4
• EC号: 221-196-6
• MDL号: MFCD00004139
• Beilstein号: 1874889
• PubChem SID: 24848624; 24888025; 162044473
• PubChem CID: 232848

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.99643
• LogD (pH = 7.4): 3.99643
• Log P: 3.99643
• 摩尔折射率: 73.3066 cm^3
• 极化性: 31.712961 Å^3
• 极化表面积: 17.07 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

• 外观: yellow
• 熔点: 123-126 °C(lit.); 123-126°C; 125-128 °C; 125-128°C

安全信息

• 保存注意事项: Air Sensitive; Mutagenic/Irritant/Air Sensitive/Store under Argon
• RTECS编号: UR2450200
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.0% (HPLC); 95+%; 99%
• 级别: for fluorescence; purum
• Empirical Formula (Hill Notation): C17H10O

详细说明

Sigma Aldrich - 144037

包装
10, 50 g in poly bottle

Toronto Research Chemicals - P989200

A novel base-discriminating fluorescent (BDF) compound: a highly polarity-sensitive fluorophore for SNP typing.

参考文献

• Shtivelman, E., et al.: Cell, 47, 2771 (1986)
• Krasnowska, E., et al.: Biophys J., 74, 1984 (1986)
• Cohen, B., et al.: Science, 296, 1700 (1986)
• Okamoto, A., et al.: Chem. Bio. Chem., 5, 958 (1986)