anthracene-9-carbaldehyde

• ChemBase编号: 75238
• 分子式: C15H10O
• 平均质量: 206.2393
• 单一同位素质量: 206.07316494
• SMILES: O=Cc1c2c(cc3ccccc13)cccc2
• Canonical SMILES: O=Cc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
• InChIKey: YMNKUHIVVMFOFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: anthracene-9-carbaldehyde
• IUPAC传统名: 9-anthracenecarboxaldehyde
• 别名: 9-蒽醛; 9-蒽甲醛; 9-蒽醛; 9-Anthraldehyde; 9-Anthraldehyde; 9-Anthracenecarboxaldehyde; 9-Anthracenecarboxaldehyde; 9-Anthraldehyde; 9-anthracenecarboxaldehyde; 9-anthracenecarboxaldehyde

登记号

• CAS号: 642-31-9
• EC号: 211-383-0
• MDL号: MFCD00001254
• Beilstein号: 639167
• PubChem SID: 24846719; 24856824; 162040156
• PubChem CID: 69504

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.6647017
• LogD (pH = 7.4): 3.6647017
• Log P: 3.6647017
• 摩尔折射率: 65.5424 cm^3
• 极化性: 27.499136 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

• 熔点: 102-106°C; 103-105 °C; 103-105 °C(lit.)

安全信息

• 保存注意事项: Air Sensitive
• 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: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97.0% (HPLC); 97%; 98%
• 级别: for fluorescence; purum
• 杂质: ≤1% anthracene
• Empirical Formula (Hill Notation): C15H10O

详细说明

MP Biomedicals - 05212661

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 278688

包装
5, 25, 100 g in glass bottle

参考文献

• 1-Formyltriptycene, prepared by Diels-Alder reaction of 9-anthraldehyde with benzyne, is the key intermediate for a series of triptycene derivatives which undergo a variety of skeletal transformations on flash vacuum pyrolysis or photolysis: J. Chem. Soc., Perkin 1, 563 (1996).