Products Categories
CAS No.: | 118-83-2 |
---|---|
Name: | 5-Chloro-2-nitrobenzotrifluoride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H3ClF3NO2 |
Molecular Weight: | 225.555 |
Synonyms: | Toluene,5-chloro-a,a,a-trifluoro-2-nitro- (8CI);2-Nitro-5-chlorobenzotrifluoride;4-Chloro-2-(trifluoromethyl)nitrobenzene;4-Nitro-3-trifluoromethyl-1-chlorobenzene;5-Chloro-2-nitro-1-(trifluoromethyl)benzene;5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene;Benzene,4-chloro-1-nitro-2-(trifluoromethyl)-; |
EINECS: | 204-280-7 |
Density: | 1.537 g/cm3 |
Melting Point: | 21 °C |
Boiling Point: | 231.7 °C at 760 mmHg |
Flash Point: | 93.9 °C |
Solubility: | 168 mg/L (20 °C) in water |
Appearance: | colorless to light yellow liquid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-28-36/39-36/37/39 |
Transport Information: | 2810 |
PSA: | 45.82000 |
LogP: | 3.79020 |
5-chloro-2-nitrotrifluoromethylbenzene
Conditions | Yield |
---|---|
Stage #1: 1-nitroso-2-(trifluoromethyl)benzene With 2,6-di-tert-butyl-4-methyl-phenol; copper dichloride In acetonitrile at 20℃; under 760.051 Torr; for 2h; Stage #2: With Oxone In water; acetonitrile at 20℃; under 760.051 Torr; for 24h; regioselective reaction; | 49% |
Conditions | Yield |
---|---|
Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuSO4 oder CuCl in wss. HCl in der Waerme; |
Conditions | Yield |
---|---|
With nitric acid | |
With sulfuric acid; nitric acid | |
With sulfuric acid; nitric acid | |
With nitric acid |
nitric acid
3-chlorotrifluoromethylbenzene
A
5-chloro-2-nitrotrifluoromethylbenzene
B
6-chloro-2-trifluoromethylnitrobenzene
sulfuric acid
nitric acid
3-chlorotrifluoromethylbenzene
A
5-chloro-2-nitrotrifluoromethylbenzene
B
6-chloro-2-trifluoromethylnitrobenzene
Conditions | Yield |
---|---|
With copper(l) iodide; cis,cis,cis-tetrakis[(diphenylphosphanyl)methyl]cyclopentane; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)) In N,N-dimethyl-formamide at 100℃; for 20h; | 91% |
(2-methylpropyl)-propanedioic acid, diethyl ester
5-chloro-2-nitrotrifluoromethylbenzene
diethyl 2-isobutyl-2-(4-nitro-3-(trifluoromethyl)phenyl)malonate
Conditions | Yield |
---|---|
Stage #1: (2-methylpropyl)-propanedioic acid, diethyl ester With sodium hydride In N,N-dimethyl-formamide at 0 - 25℃; Cooling with ice bath; Stage #2: 5-chloro-2-nitrotrifluoromethylbenzene In N,N-dimethyl-formamide at 20 - 25℃; for 48h; | 87% |
Stage #1: (2-methylpropyl)-propanedioic acid, diethyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.666667h; Stage #2: 5-chloro-2-nitrotrifluoromethylbenzene In N,N-dimethyl-formamide; mineral oil at 20℃; for 48h; | 87% |
5-chloro-2-nitrotrifluoromethylbenzene
methylamine
N-methyl-4'-nitro-3'-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With sodium carbonate In ethanol at 70℃; for 36h; | 87% |
Conditions | Yield |
---|---|
With sodium hydroxide In N,N-dimethyl-formamide at 30℃; for 1.5h; Sonication; | 86% |
methanol
5-chloro-2-nitrotrifluoromethylbenzene
4-methoxy-1-nitro-2-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With sodium at 20℃; for 6h; | 81.4% |
What can I do for you?
Get Best Price
IUPAC Name: 4-Chloro-1-nitro-2-(trifluoromethyl)benzene
Canonical SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)[N+](=O)[O-]
InChI: InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey: CFPIGEXZPWTNOR-UHFFFAOYSA-N
Molecular Weight: 225.55243 [g/mol]
Molecular Formula: C7H3ClF3NO2
XLogP3: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 5
EINECS: 204-280-7
Water Solubility: 168 mg/L (20 °C)
Index of Refraction: 1.493
Molar Refractivity: 42.67 cm3
Molar Volume: 146.7 cm3
Surface Tension: 34.5 dyne/cm
Density: 1.537 g/cm3
Flash Point: 93.9 °C
Enthalpy of Vaporization: 44.93 kJ/mol
Boiling Point: 231.7 °C at 760 mmHg
Vapour Pressure: 0.0933 mmHg at 25 °C
Appearance: colorless to light yellow liquid
Melting Point of 5-Chloro-2-nitrobenzotrifluoride (CAS NO.118-83-2): 21 °C
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-28-36/39-36/37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36:Wear suitable protective clothing.
S39:Wear eye / face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 2
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
5-Chloro-2-nitrobenzotrifluoride (CAS NO.118-83-2), its Synonyms are 5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene ; Toluene,5-chloro-a,a,a-trifluoro-2-nitro- (8CI) ; 2-Nitro-5-chlorobenzotrifluoride ; 4-Nitro-3-trifluoromethyl-1-chlorobenzene ; 5-Chloro-2-nitro-1-(trifluoromethyl)benzene ; Benzene,4-chloro-1-nitro-2-(trifluoromethyl)- .