CAS No.769-10-8,2-Fluoro-6-nitrotoluene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	769-10-8
Name:	2-Fluoro-6-nitrotoluene
Article Data:	11

Formula:	C₇H₆FNO₂
Molecular Weight:	155.129
Synonyms:	1-Fluor-2-methyl-3-nitrobenzene;Benzene, 1-fluoro-2-methyl-3-nitro-;
EINECS:	212-203-3
Density:	1.274 g/cm³
Melting Point:	6.5-7 ºC
Boiling Point:	224.3 ºC at 760 mmHg
Flash Point:	88.9 ºC
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36-28-24/25
Transport Information:	UN 2810
PSA:	45.82000
LogP:	2.56550

Synthetic route

: 95-52-3
2-Fluorotoluene

A: 455-88-9
5-nitro-2-fluorotoluene

B: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With nitric acid

: 2-methyl-3-nitrobenzenediazonium tetrafluoroborate

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With sand at 300℃;
at 250℃;

: 603-83-8
3-nitro-o-tolylamine

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
Ueberfuehrung in das Diazopiperidid und Erhitzen mit Fluorwasserstoff-Fluorkalium;
(i) NaNO2, HBF4, (ii) (thermolysis); Multistep reaction;
(i) (diazotization), BF4-, (ii) (pyrolysis); Multistep reaction;
Stage #1: 3-nitro-o-tolylamine With sulfuric acid; sodium nitrite at 0 - 20℃; for 2h; Stage #2: With copper (I) fluoride Sandmeyer reaction; Further stages.;

: 95-52-3
2-Fluorotoluene

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With nitric acid

: 88-72-2
1-methyl-2-nitrobenzene

A: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

B: 1-(fluoromethyl)-2-nitrobenzene

Conditions

Conditions	Yield
With pyridine; hydrogen fluoride at 25℃; for 0.81h; electrochemical synthesis: Pt electrodes, applied potential 2.40 V, frequency square wave alternating current of 0.033 Hz, passed charge of 2.00 F mol-1; Yield given. Yields of byproduct given;

: 95-52-3
2-Fluorotoluene

: 7697-37-2
nitric acid

A: 455-88-9
5-nitro-2-fluorotoluene

B: 1427-07-2
2-fluoro-4-nitrotoluene

C: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

...Expand

6-nitro-toluenediazonium-(2)-tetrafluoroborate: 6-nitro-toluenediazonium-(2)-tetrafluoroborate

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
at 150 - 250℃;

: 606-20-2
2,6-dinitrotoluene

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 4>2S 2: (i) (diazotization), BF4-, (ii) (pyrolysis) View Scheme

: 19406-51-0
4-Amino-2,6-dinitrotoluene

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) (diazotization), (ii) (reduction) 2: 4>2S 3: (i) (diazotization), BF4-, (ii) (pyrolysis) View Scheme

: 769-10-8
1-fluoro-2-methyl-3-nitrobenzene

: 1-fluoro-2-methyl-3,4-dinitro-benzene

Conditions

Conditions	Yield
With sulfuric acid; uronium nitrate at 0 - 20℃; Nitration;	94%

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Specification

The 2-Fluoro-6-nitrotoluene, with the CAS registry number 769-10-8, is also known as Benzene, 1-fluoro-2-methyl-3-nitro-. It belongs to the product categories of Fluorides; Fluorin-Contained Toluene Series; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Fluorinated Benzene Series. Its EINECS registry number is 212-203-3. This chemical's molecular formula is C₇H₆FNO₂ and molecular weight is 155.13. What's more, both its IUPAC name and systematic name are the same which is called 1-Fluoro-2-methyl-3-nitrobenzene.

Physical properties about 2-Fluoro-6-nitrotoluene are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.61; (6)ACD/BCF (pH 7.4): 36.61; (7)ACD/KOC (pH 5.5): 458.02; (8)ACD/KOC (pH 7.4): 458.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.61 cm³; (15)Molar Volume: 121.7 cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.274 g/cm³; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 44.21 kJ/mol; (20)Boiling Point: 224.3 °C at 760 mmHg; (21)Vapour Pressure: 0.137 mmHg at 25 °C.

Uses of 2-Fluoro-6-nitrotoluene: it is used to produce other chemicals. For example, it can react with Formaldehyde to get 2-(2-Fluoro-6-nitrophenyl)ethanol. This reaction needs reagent potassium hydroxide and solvent N,N-dimethyl-acetamide at temperature of 20 °C.

2-Fluoro-6-nitrotoluene can react with Formaldehyde to get 2-(2-Fluoro-6-nitrophenyl)ethanol.

When you are dealing with this chemical, you should be very careful. It is harmful by inhalation, in contact with skin and if swallowed. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc([N+]([O-])=O)c1C
(2) InChI: InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
(3) InChIKey: GXPIVRKDWZKIKZ-UHFFFAOYSA-N