Products Categories
| CAS No.: | 706-08-1 |
|---|---|
| Name: | 1-Fluoro-4-(2-nitrovinyl)benzene |
| Article Data: | 122 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6FNO2 |
| Molecular Weight: | 167.14 |
| 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-; |
| EINECS: | 211-891-2 |
| Density: | 1.276 g/cm3 |
| Melting Point: | 100-102 °C |
| Boiling Point: | 254.5 °C at 760 mmHg |
| Flash Point: | 107.7 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 45.82000 |
| LogP: | 2.59630 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
What can I do for you?
Get Best Price
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, |