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777-37-7

Basic Information
CAS No.: 777-37-7
Name: 2-Chloro-5-nitrobenzotrifluoride
Article Data: 14
Molecular Structure:
Molecular Structure of 777-37-7 (2-Chloro-5-nitrobenzotrifluoride)
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: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38-20/21/22
Safety: 26-36/37/39-36
PSA: 45.82000
LogP: 3.79020
Synthetic route
88-16-4

1-chloro-2-(trifluoromethyl)benzene

777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

Conditions
ConditionsYield
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%
320-51-4

4-chloro-3-trifluoromethyl-aniline

777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

Conditions
ConditionsYield
With dihydrogen peroxide; potassium carbonate In water; acetonitrile at 20℃;75%
88-16-4

1-chloro-2-(trifluoromethyl)benzene

A

39974-35-1

2-chloro-1-nitro-3-(trifluoromethyl)benzene

B

777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 50 - 60℃; for 0.5h;A n/a
B 60%
777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

641-98-5

2,2'-bis-(trifluoromethyl)-4,4'-dinitro-1,1'-biphenyl

Conditions
ConditionsYield
With palladium on activated charcoal; Diphenylphosphine oxide; zinc In 1-methyl-pyrrolidin-2-one at 150℃; Temperature;98.5%
777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

320-51-4

4-chloro-3-trifluoromethyl-aniline

Conditions
ConditionsYield
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%
777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

344-47-8

4,4'-dinitro-2,2'-bistrifluoromethyldiphenyl ether

Conditions
ConditionsYield
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
777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

3847-57-2

sodium 4-nitrobenzoate

344-47-8

4,4'-dinitro-2,2'-bistrifluoromethyldiphenyl ether

Conditions
ConditionsYield
With sodium carbonate In N,N-dimethyl acetamide96.7%
777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

112-55-0

1-dodecylthiol

1246566-58-4

1-dodecylthio-4-nitro-2-trifluoromethylbenzene

Conditions
ConditionsYield
With copper(ll) sulfate pentahydrate; sodium carbonate; sodium L-ascorbate; L-proline In water; dimethyl sulfoxide at 70℃; for 12h;96%
5111-66-0

6-Methoxy-2-naphthol

777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

2-methoxy-6-(4-nitro-2-(trifluoromethyl)phenoxy)naphthalene

Conditions
ConditionsYield
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%
777-37-7

4-chloro-3-(trifluoromethyl)nitrobenzene

109-73-9

N-butylamine

N-butyl-2-trifluoromethyl-4-nitroaniline

Conditions
ConditionsYield
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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    2-chloro-5-nitrobenzotrifluoride Melting point 22 ° C Boiling point 108 °C 10 mm Hg(lit.) Density 1.527 g/mL at 25 °C (lit.) Refractive index n20/D 1.508 (lit.) Flash point 210 °F BRN 2216169 CAS Database 777-37-7 (CAS

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Chemistry

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

Toxicity Data With Reference

 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.

Safety Profile

Hazard Codes:  HarmfulXn,IrritantXi
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

Specification

 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.