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| CAS No.: | 35966-84-8 |
|---|---|
| Name: | 5-CHLORO-N-METHYL-2-NITROBENZENAMINE |
| Article Data: | 36 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7ClN2O2 |
| Molecular Weight: | 186.598 |
| 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; |
| Density: | 1.406 g/cm3 |
| Melting Point: | 104-107 °C |
| Boiling Point: | 318.1 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| Appearance: | yellow to orange-yellow powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 38-28 |
| PSA: | 57.85000 |
| LogP: | 2.88610 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In toluene Ambient temperature; | 90% |
- 35966-84-8
4-chloro-2-methylaminonitrobenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride | 88% |
- 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 | Yield |
|---|---|
| In methanol at 20℃; for 3h; | A 60% B n/a |
- 35966-84-8
4-chloro-2-methylaminonitrobenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium at 99.9℃; Rate constant; |
- Total:13 Page 1 of 1 1
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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%.
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%.
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