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

• ChemBase ID: 7688
• Molecular Formular: C6H2FN3O3
• Molecular Mass: 183.0967832
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole
• IUPAC Traditional name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole
• Synonyms: 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; 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

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4059546
• LogD (pH = 7.4): 1.4059546
• Log P: 1.4059546
• Molar Refractivity: 38.6717 cm^3
• Polarizability: 14.763785 Å^3
• Polar Surface Area: 82.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-54 °C(lit.); 52-54°C
• Flash Point: 113 °C; 113°C; 235.4 °F
• Fluorescence: λex 380 nm; λem 515 nm (hydrolyzed (esterase))

Safety Information

• Storage Condition: -20°C, Desiccate, Protect from light
• Storage Warning: Irritant/Store at -20°C/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

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

DETAILS

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
Useful for fluorescent labeling of amino acids and amines in HPLC

Toronto Research Chemicals - F594700

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

REFERENCES

• 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)