1-Fluoro-4-(2-nitrovinyl)benzene supplier

Name
1-Fluoro-4-(2-nitrovinyl)benzene
EINECS 211-891-2
CAS No. 706-08-1
Article Data122
CAS DataBase
Density 1.276 g/cm³
Solubility Slightly soluble in water.
Melting Point 100-102 °C
Formula C₈H₆FNO₂
Boiling Point 254.5 °C at 760 mmHg
Molecular Weight 167.14
Flash Point 107.7 °C
Transport Information UN 2811
Appearance
Safety 22-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Styrene,p-fluoro-b-nitro- (7CI,8CI);1-Fluoro-4-(2-nitroethenyl)benzene;1-Fluoro-4-(2-nitrovinyl)benzene;2-(4-Fluorophenyl)-1-nitroethene;4-Fluoro-b-nitrostyrene;NSC 121154;p-Fluoro-b-nitrostyrene;p-Fluoro-w-nitrostyrene;1-fluoro-4-[(E)-2-nitroethenyl]benzene;Benzene, 1-fluoro-4- (2-nitroethenyl)-;benzene, 1-fluoro-4-[(E)-2-nitroethenyl]-;p-Fluoro-β-nitrostyrene;Styrene, p-fluoro-β-nitro-;
PSA 45.82000
LogP 2.59630

1-Fluoro-4-(2-nitrovinyl)benzene Specification

The Benzene,1-fluoro-4-(2-nitroethenyl)-, with the CAS registry number 706-08-1 and EINECS registry number 211-891-2, has the systematic name and IUPAC name of 1-fluoro-4-[(E)-2-nitroethenyl]benzene. And the molecular formula of the chemical is C₈H₆FNO₂.

The characteristics of Benzene,1-fluoro-4-(2-nitroethenyl)- are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 43.52 cm³; (9)Molar Volume: 130.8 cm³; (10)Polarizability: 17.25×10^-24cm³; (11)Surface Tension: 43.4 dyne/cm; (12)Density: 1.276 g/cm³; (13)Flash Point: 107.7 °C; (14)Enthalpy of Vaporization: 47.21 kJ/mol; (15)Boiling Point: 254.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0274 mmHg at 25°C.

Uses of Benzene,1-fluoro-4-(2-nitroethenyl)-: It can react with 5-fluoro-indole to produce 5-Fluor-3-[1-(4-fluorphenyl)-2-nitroethyl]-indol. The reaction time is 6 hours with temperature of 125°C, and the yield is about 51.7%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and do not breathe dust.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(/C=C/[N+]([O-])=O)cc1
(2)InChI: InChI=1/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
(3)InChIKey: VRFSQVFSQAYHRU-AATRIKPKBQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04781,

Product Name

1-Fluoro-4-(2-nitrovinyl)benzene

1-Fluoro-4-(2-nitrovinyl)benzene Specification

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