4-fluoro-7-nitro-2,1,3-benzoxadiazole

• ChemBase编号: 7688
• 分子式: C6H2FN3O3
• 平均质量: 183.0967832
• 单一同位素质量: 183.00801916
• SMILES: n1onc2c1c(ccc2[N+](=O)[O-])F
• Canonical SMILES: [O-][N+](=O)c1ccc(c2c1non2)F
• InChI: InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
• InChIKey: PGZIDERTDJHJFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-fluoro-7-nitro-2,1,3-benzoxadiazole
• IUPAC传统名: 4-fluoro-7-nitro-2,1,3-benzoxadiazole
• 别名: 4-氟-7-硝基-2,1,3-苯并氧杂恶二唑; 4-氟-7-硝基苯并-2-氧杂-1,3-二唑; 7-Fluoro-4-nitro-2,1,3-benzoxadiazole; 4-Fluoro-7-nitrobenzofurazan; NBD-F; 4-Fluoro-7-nitro-2,1,3-benzoxadiazole; 4-Fluoro-7-nitrobenzofurazan; 4-FLUORO-7-NITROBENZOFURAZAN; 4-FLUORO-7-NITRO-BENZOFUROZAN; 4-Fluoro-7-nitro-[2,1,3]-benzoxadiazole

登记号

• CAS号: 29270-56-2
• MDL号: MFCD00010196
• Beilstein号: 1077571
• PubChem SID: 24894897; 160970995
• PubChem CID: 122123

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4059546
• LogD (pH = 7.4): 1.4059546
• Log P: 1.4059546
• 摩尔折射率: 38.6717 cm^3
• 极化性: 14.763785 Å^3
• 极化表面积: 82.06 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: 52-54 °C(lit.); 52-54°C
• 闪点: 113 °C; 113°C; 235.4 °F
• 荧光: λex 380 nm; λem 515 nm (hydrolyzed (esterase))

安全信息

• 保存条件: -20°C, Desiccate, Protect from light
• 保存注意事项: Irritant/Store at -20°C/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/38; R:36/37/38
• 安全公开号: 26-36; S:20-25-26-37/39
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (elemental analysis); 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C6H2FN3O3

详细说明

MP Biomedicals - 02151157

Useful for fluorescent labeling of amino acids.

MP Biomedicals - 05218657

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC8071

For HPLC labeling.

Sigma Aldrich - F5883

Application
在高效液相色谱中可用于氨基酸和胺的荧光标记
包装
5, 25, 50 mg in glass bottle

Sigma Aldrich - 283983

Application
在高效液相色谱中可用于氨基酸和胺的荧光标记

Toronto Research Chemicals - F594700

A fluorescence reagent used to evaluate amino acid racemates from homogenized retinal tissue.

参考文献

• K. Ima, et al., Anal. Chem. Acta, 130: 377 (1981).
• Y. Watanabe, et al., Anal. Biochem., 116: 471 (1981).
• Y. Watanabe, et al., J. Chromatogr., 239: 723 (1982).
• Imai, K., et al.: Biomed. Chromatogr., 10, 303 (1996)
• Tsai, G., et al.: Biol. Psychiatry, 44, 1081 (1996)
• Ribeiro, C., et al.: Brain Res. 929, 202 (1996)