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3819-88-3

Basic Information
CAS No.: 3819-88-3
Name: 1-Fluoro-3-iodo-5-nitrobenzene
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 3819-88-3 (1-Fluoro-3-iodo-5-nitrobenzene)
Formula: C6H3FINO2
Molecular Weight: 266.998
Synonyms: 3-Fluoro-5-iodo-1-nitrobenzene;3-Nitro-5-fluoroiodobenzene;NSC 88609;
Density: 2.1±0.1 g/cm3
Melting Point: 77-79 °C(lit.)
Boiling Point: 277.7±20.0 °C at 760 mmHg
Flash Point: 121.7±21.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 45.82000
LogP: 2.86170
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  • 1-Fluoro-3-iodo-5-nitrobenzene  CAS NO.3819-88-3

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Specification

The Benzene,1-fluoro-3-iodo-5-nitro-, with the CAS registry number 3819-88-3, is also known as 3-Fluoro-5-iodo-1-nitrobenzene. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C6H3FINO2 and formula weight is 267.00. What's more, its IUPAC name is 1-fluoro-3-iodo-5-nitrobenzene.

Physical properties of Benzene,1-fluoro-3-iodo-5-nitro- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.635; (8)Molar Refractivity: 45.69 cm3; (9)Molar Volume: 127.5 cm3; (10)Surface Tension: 53.8 dyne/cm; (11)Density: 2.093 g/cm3; (12)Flash Point: 121.7 °C; (13)Enthalpy of Vaporization: 49.55 kJ/mol; (14)Boiling Point: 277.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00753 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1F)I)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H3FINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
(3)InChIKey: MXPYCSFCKXSPAB-UHFFFAOYSA-N