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CAS No.: | 777-37-7 |
---|---|
Name: | 2-Chloro-5-nitrobenzotrifluoride |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H3ClF3NO2 |
Molecular Weight: | 225.555 |
Synonyms: | 3-(Trifluoromethyl)-4-chloronitrobenzene;Benzene, 1-chloro-4-nitro-2- (trifluoromethyl)-;4-Chloro-3-(trifluoromethyl)nitrobenzene;Toluene, 2-chloro-alpha,alpha,alpha-trifluoro-5-nitro- (8CI);2-(Trifluoromethyl)-4-nitrochlorobenzene;2-Chloro-.alpha., .alpha.,.alpha.-trifluoro-5-nitrotoluene;4-Nitro-2-(trifluoromethyl)chlorobenzene;2-Chloro-alpha,alpha,alpha-trifluoro-5-nitrotoluene;1-chloro-4-nitro-2-(trifluoromethyl)benzene;2-chloro-5-nitro trifluorotoluene;2-chloro-α,α,α-trifluoro-5-nitrotoluene; |
EINECS: | 212-287-1 |
Density: | 1.537 g/cm3 |
Melting Point: | 22 °C |
Boiling Point: | 231.9 °C at 760 mmHg |
Flash Point: | 94 °C |
Appearance: | light yellow crystal |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36/37/38-20/21/22 |
Safety: | 26-36/37/39-36 |
PSA: | 45.82000 |
LogP: | 3.79020 |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid at 25℃; | 96.13% |
With sulfuric acid; nitric acid at 20 - 45℃; for 4h; | 91.3% |
With sulfuric acid; nitric acid at 45℃; for 4h; | 91.3% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; potassium carbonate In water; acetonitrile at 20℃; | 75% |
1-chloro-2-(trifluoromethyl)benzene
A
2-chloro-1-nitro-3-(trifluoromethyl)benzene
B
4-chloro-3-(trifluoromethyl)nitrobenzene
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid at 50 - 60℃; for 0.5h; | A n/a B 60% |
4-chloro-3-(trifluoromethyl)nitrobenzene
2,2'-bis-(trifluoromethyl)-4,4'-dinitro-1,1'-biphenyl
Conditions | Yield |
---|---|
With palladium on activated charcoal; Diphenylphosphine oxide; zinc In 1-methyl-pyrrolidin-2-one at 150℃; Temperature; | 98.5% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; TPGS-750-M In tetrahydrofuran; water at 20℃; for 1h; Catalytic behavior; Reagent/catalyst; | 98% |
With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 2h; Inert atmosphere; Green chemistry; chemoselective reaction; | 94% |
With sodium tetrahydroborate; iron; water at 20℃; for 2h; | 94% |
4-chloro-3-(trifluoromethyl)nitrobenzene
4,4'-dinitro-2,2'-bistrifluoromethyldiphenyl ether
Conditions | Yield |
---|---|
With sodium methylate In sulfolane at 90 - 170℃; for 5h; Temperature; Solvent; | 96.97% |
With sodium; benzyl alcohol | |
With sodium ethanolate In diethyl ether | |
With sodium carbonate; 3-nitrobenzoic acid In N,N-dimethyl acetamide |
4-chloro-3-(trifluoromethyl)nitrobenzene
sodium 4-nitrobenzoate
4,4'-dinitro-2,2'-bistrifluoromethyldiphenyl ether
Conditions | Yield |
---|---|
With sodium carbonate In N,N-dimethyl acetamide | 96.7% |
4-chloro-3-(trifluoromethyl)nitrobenzene
1-dodecylthiol
1-dodecylthio-4-nitro-2-trifluoromethylbenzene
Conditions | Yield |
---|---|
With copper(ll) sulfate pentahydrate; sodium carbonate; sodium L-ascorbate; L-proline In water; dimethyl sulfoxide at 70℃; for 12h; | 96% |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 25℃; for 1.5h; Heating; | 96% |
With potassium carbonate In dimethyl sulfoxide at 25 - 70℃; for 1h; | 96% |
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide In water; benzene at 40℃; for 6h; Product distribution; Rate constant; various amines under different reaction conditions; | 95% |
With sodium hydroxide; tetrabutylammomium bromide In water; acetonitrile at 40℃; for 6h; | 95% |
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IUPAC Name: 1-Chloro-4-nitro-2-(trifluoromethyl)benzene
Following is the structure of 2-Chloro-5-nitro trifluorotoluene (CAS NO.777-37-7):
Molecular formula: C7H3ClF3NO2
Molecular Weight: 225.55
EINECS: 212-287-1
Index of Refraction: 1.493
Molar Refractivity: 42.67 cm3
Molar Volume: 146.7 cm3
Density: 1.537 g/cm3
Flash Point: 94 °C
Melting point: 22 °C
Polarizability: 16.91 10-24cm3
Surface Tension: 34.5 dyne/cm
Enthalpy of Vaporization: 44.95 kJ/mol
Boiling Point: 231.9 °C at 760 mmHg
Vapour Pressure: 0.0925 mmHg at 25 °C
Appearance: Clear colourless to light yellow liquid
Product Categories: Trifluoromethylbenzene serise
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Cl
InChI: InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey: HQROXDLWVGFPDE-UHFFFAOYSA-N
2-Chloro-5-nitro trifluorotoluene (CAS NO.777-37-7) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Hazard Codes: Xn,Xi
Hazard Note:Irritant
The Risk Statements information of 2-Chloro-5-nitro trifluorotoluene (CAS NO.777-37-7): 22-36/37/38-20/21/22
22: Harmful if swallowed
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 2-Chloro-5-nitro trifluorotoluene (CAS NO.777-37-7): 26-36/37/39-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
HazardClass:6.1
PackingGroup:III
2-Chloro-5-nitro trifluorotoluene , its cas register number 777-37-7. It also can be called 2-(Trifluoromethyl)-4-nitrochlorobenzene ; 2-Chloro-5-nitrobenzotrifluoride ; 2-Chloro-alpha,alpha,alpha-trifluoro-5-nitrotoluene ; 3-(Trifluoromethyl)-4-chloronitrobenzene ; 4-Chloro-3-(trifluoromethyl)nitrobenzene ; 4-Nitro-2-(trifluoromethyl)chlorobenzene ; and AI3-28914 .
2-Chloro-5-nitro trifluorotoluene (CAS NO.777-37-7) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with Strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. However, its hazardous polymerization will not occur.