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Benzenamine,5-chloro-N-methyl-2-nitro-

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Name

Benzenamine,5-chloro-N-methyl-2-nitro-

EINECS N/A
CAS No. 35966-84-8 Density 1.406 g/cm3
PSA 57.85000 LogP 2.88610
Solubility N/A Melting Point 104-107 °C
Formula C7H7ClN2O2 Boiling Point 318.1 °C at 760 mmHg
Molecular Weight 186.598 Flash Point 146.2 °C
Transport Information N/A Appearance yellow to orange-yellow powder
Safety 38-28 Risk Codes 22
Molecular Structure Molecular Structure of 35966-84-8 (5-CHLORO-N-METHYL-2-NITROBENZENAMINE) Hazard Symbols HarmfulXn
Synonyms

Aniline,5-chloro-N-methyl-2-nitro- (6CI);4-Chloro-2-(methylamino)nitrobenzene;5-Chloro-N-methyl-2-nitroaniline;N-Methyl-5-chloro-2-nitroaniline;NSC 86687;

Article Data 36

Benzenamine,5-chloro-N-methyl-2-nitro- Synthetic route

611-06-3

2,4-dichloronitrobenzene

74-89-5

methylamine

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 40℃; for 22h; Product distribution / selectivity;100%
With triethylamine In tetrahydrofuran at 40℃; for 22h; Inert atmosphere;100%
In water; dimethyl sulfoxide at 27 - 37℃; for 6h;90%
1635-61-6

5-chloro-2-nitroaniline

74-88-4

methyl iodide

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃;100%
Stage #1: 5-chloro-2-nitroaniline With sodium hydride In tetrahydrofuran; paraffin oil at 0℃; for 0.25h;
Stage #2: methyl iodide In tetrahydrofuran; paraffin oil at 20℃; for 2h;
95%
1635-61-6

5-chloro-2-nitroaniline

77-78-1

dimethyl sulfate

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In water; toluene at 20℃; Methylation;96%
Stage #1: 5-chloro-2-nitroaniline With potassium tert-butylate In DMF (N,N-dimethyl-formamide) at 0℃; for 1h;
Stage #2: dimethyl sulfate In DMF (N,N-dimethyl-formamide) at 25℃; for 1.5h;
700-37-8

4-chloro-2-fluoro-nitrobenzene

74-89-5

methylamine

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
In ethanol at 0℃; for 2.25h;92.7%
In ethanol; water for 1h;33%
In tetrahydrofuran; dimethyl sulfoxide at 20℃; for 24h; Product distribution / selectivity;
In tetrahydrofuran at 20℃;
In tetrahydrofuran at 20℃; for 1h; Microwave irradiation; Sealed tube;
77-78-1

dimethyl sulfate

174264-60-9

5-chloro-2-nitro-N-trifluoroacetylaniline

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In toluene Ambient temperature;90%

C8H7ClN2O4*CH5N*ClH

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With hydrogenchloride88%
610-40-2

3,4-dinitro-chlorobenzene

74-89-5

methylamine

A

35966-84-8

4-chloro-2-methylaminonitrobenzene

B

61149-80-2

N-methyl-3,4-dinitroaniline

Conditions
ConditionsYield
In methanol at 20℃; for 3h;A 60%
B n/a

5-chloro-N-methyl-2-nitro-N-nitroso-aniline

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With hydrogenchloride
610-40-2

3,4-dinitro-chlorobenzene

74-89-5

methylamine

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With ethanol at 25℃;
With sodium hydroxide; ethanol
With sodium hydroxide; ethanol
67-56-1

methanol

72693-63-1

3'-Chlor-5'-nitro-N-methyltoluanilid

A

99-75-2

4-methyl-benzoic acid methyl ester

B

35966-84-8

4-chloro-2-methylaminonitrobenzene

Conditions
ConditionsYield
With sodium at 99.9℃; Rate constant;

Benzenamine,5-chloro-N-methyl-2-nitro- Specification

The Benzenamine,5-chloro-N-methyl-2-nitro-, with the CAS registry number 35966-84-8, is also known as 4-Chloro-2-(methylamino)nitrobenzene. This chemical's molecular formula is C7H7ClN2O2 and molecular weight is 186.6. What's more, its systematic name is 5-chloro-N-methyl-2-nitroaniline. It should be sealed and stored in a cool and dry place. 

Physical properties of Benzenamine,5-chloro-N-methyl-2-nitro- are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 47.3 cm3; (9)Molar Volume: 132.6 cm3; (10)Polarizability: 18.75×10-24cm3; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.406 g/cm3; (13)Flash Point: 146.2 °C; (14)Enthalpy of Vaporization: 55.96 kJ/mol; (15)Boiling Point: 318.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000369 mmHg at 25°C.

Preparation of Benzenamine,5-chloro-N-methyl-2-nitro-: this chemical can be prepared by 2-fluoro-4-chloro-nitrobenzene and methylamine. This reaction will need solvents ethanol, H2O with the reaction time of 1 hour. The yield is about 33%.

Benzenamine,5-chloro-N-methyl-2-nitro- can be prepared by 2-fluoro-4-chloro-nitrobenzene and methylamine

Uses of Benzenamine,5-chloro-N-methyl-2-nitro-: it can be used to produce N-(5-chloro-2-nitro-phenyl)-2-cyano-2,N-dimethyl-butyramide by heating. It will need solvent pyridine. The yield is about 71%.

Benzenamine,5-chloro-N-methyl-2-nitro- can be used to produce N-(5-chloro-2-nitro-phenyl)-2-cyano-2,N-dimethyl-butyramide by heating

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). In case of insufficient ventilation, you should wear suitable respiratory equipment.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H7ClN2O2/c1-9-6-4-5(8)2-3-7(6)10(11)12/h2-4,9H,1H3
(3)InChIKey: YWJPRGWHZDSXML-UHFFFAOYSA-N

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