Basic information
- Name:
Benzene,4-azido-1-fluoro-2-nitro-
- CAS No.:
28166-06-5
- Molecular Structure:
- Formula:
- C6H3FN4O2
- Molecular Weight:
- 182.11
- Synonyms:
- 1-Fluoro-2-nitro-4-azidobenzene;2-Nitro-4-azidofluorobenzene;4-Azido-1-fluoro-2-nitrobenzene;4-Azido-2-nitrofluorobenzene;4-Azido-2-nitrophenyl fluoride;4-Fluoro-3-nitrophenyl azide;NSC 266503;
- EINECS:
- 248-878-6
- Melting Point:
- 54-56 ºC
- Flash Point:
- 113 °C
- Hazard Symbols:
T,
F,
Xi- Risk Codes:
- 5-11-23/24/25
- Safety Description:
- 36/37/39-45 Details
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Specification
The Benzene,4-azido-1-fluoro-2-nitro-, with the CAS registry number 2817-13-2, is also known as 2-Nitro-4-azidofluorobenzene. Its EINECS number is 248-878-6. This chemical's molecular formula is C6H3FN4O2 and formula weight is 182.11. What's more, its IUPAC name is 4-azido-1-fluoro-2-nitrobenzene. Its classification code is Mutation data. Its storage temperature is 2-8°C.
Physical properties of Benzene,4-azido-1-fluoro-2-nitro- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/BCF (pH 5.5): 45.56; (5)ACD/KOC (pH 5.5): 535.59; (6)#H bond acceptors: 6; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 58.18 Å2.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Once heated, it may cause an explosion. It is toxic by inhalation, in contact with skin and if swallowed. When using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])F
(2)InChI: InChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H
(3)InChIKey: VCTBSHQJICJJFV-UHFFFAOYSA-N
