7-(diethylamino)-4-methyl-2H-chromen-2-one

• ChemBase编号: 88823
• 分子式: C14H17NO2
• 平均质量: 231.29028
• 单一同位素质量: 231.12592879
• SMILES: o1c2cc(ccc2c(cc1=O)C)N(CC)CC
• Canonical SMILES: CCN(c1ccc2c(c1)oc(=O)cc2C)CC
• InChI: InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
• InChIKey: AFYCEAFSNDLKSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(diethylamino)-4-methyl-2H-chromen-2-one
• IUPAC传统名: coumarin 1
• 别名: 7-二乙基氨基-4-甲基香豆素; 香豆素 1; 7-二乙氨基-4-甲基香豆素; 7-(Diethylamino)-4-methyl-2H-chromen-2-one; 7-(Diethylamino)-4-methyl-2-oxo-2H-chromene; Coumarin 1; 7-(Diethylamino)-4-methylcoumarin; 7-(diethylamino)-4-methyl-2H-chromen-2-one; 4-Methyl-7-diethylaminocoumarin; 4-METHYL-7-DIETHYLAMINOCOUMARIN; COUMARIN 1; 7-Diethylamino-4-methylcoumarin

登记号

• CAS号: 91-44-1
• EC号: 202-068-9
• MDL号: MFCD00006864
• Beilstein号: 193303
• PubChem SID: 162075727; 24894226
• PubChem CID: 7050

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8791573
• LogD (pH = 7.4): 2.9040866
• Log P: 2.904414
• 摩尔折射率: 69.7564 cm^3
• 极化性: 26.042484 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 72-74°C; 72-75 °C(lit.); 72-75°C; 72-75°C
• 沸点: 240°C/6.5mm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Harmful/Irritant
• RTECS编号: GN6370000
• 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
• 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: 95+%; 99%
• Empirical Formula (Hill Notation): C14H17NO2

详细说明

MP Biomedicals - 05206487

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02190344

Laser Grade
Suitable for use as laser dye.
Efficient laser dye for pulsed operation.

Sigma Aldrich - D87759

Application
适于用作激光染料
包装
100, 500 g in poly bottle
5 g in glass bottle

参考文献

• F.P. Schafer, Ed., Dye Lasers , Springer, Berlin, (1973).