CAS No.100-15-2,N-Methyl-4-nitroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100-15-2
Name:	N-Methyl-4-nitroaniline
Article Data:	153
Cas Database

Formula:	C₇H₈N₂O₂
Molecular Weight:	152.153
Synonyms:	Aniline,N-methyl-p-nitro- (6CI,7CI,8CI);4-(Methylamino)nitrobenzene;4-Nitro-N-methylaniline;Methyl(4-nitrophenyl)amine;N-Methyl-4-nitrobenzenamine;N-Methyl-p-nitraniline;N-Methyl-p-nitroaniline;N-Monomethyl-p-nitroaniline;NSC 5390;p-(Methylamino)nitrobenzene;p-Nitro-N-methylaniline;
EINECS:	202-823-2
Density:	1.26 g/cm³
Melting Point:	149-151 °C(lit.)
Boiling Point:	290.6 °C at 760 mmHg
Flash Point:	129.5 °C
Solubility:	<0.1 g/100 mL at 19 °C in water
Appearance:	Brownish-yellow crystalline powder
Hazard Symbols:	T,Xi
Risk Codes:	23/24/25-33-36/37/38
Safety:	28-36/37/39-45-26
Transport Information:	2811
PSA:	57.85000
LogP:	2.23270

Synthetic route

: 10252-27-4
p-Nitrophenyl-N-methyl-carbamidsaeure-methylester

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With tert-butylamine In methanol for 14h; Heating;	100%
With sodium hydroxide; cetyltrimethylammonim bromide In methanol; water at 68.5℃; Rate constant;

: 123-39-7
N-Methylformamide

: 100-00-5
4-chlorobenzonitrile

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With potassium hydroxide	100%
at 130℃; for 11h;	74%

: 636-98-6
p-nitrobenzene iodide

: 74-89-5
methylamine

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With copper In water at 100℃; for 12h; Ullmann reaction;	96.4%
With copper(l) iodide; 6,7-dihydro-5H-quinolin-8-one oxime; potassium hydroxide In water at 25℃; for 24h; Inert atmosphere;	85%

: 100-01-6
4-nitro-aniline

: 74-88-4
methyl iodide

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With C24H52B20Cl2Rh2Se2 In toluene at 20℃; for 2h;	95%
In methanol for 10h; Heating;	41.1%
With methanol at 95℃;

: 124251-71-4
(Z)-N-methyl-N-(4-nitrophenyl)-N'-<1-(phenylthio)-3,3-dimethylbut-1-en-2-yl>acetamidine

A: 37471-41-3
3,3-dimethyl-1-(phenylthio)butan-2-one

B: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane for 6h; Heating;	A 95% B n/a

: 474020-88-7
tert-butyl N-methyl-N-(4-nitrophenyl)carbamate

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 25℃;	95%
With tert-butylamine In methanol for 24h; Heating;	7%

: 586-78-7
para-nitrophenyl bromide

: 74-89-5
methylamine

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With copper In water at 100℃; for 12h; Ullmann reaction;	93.4%
at 20℃; for 16h; Heating; Sealed tube;	4.5 g
In water at 90℃; for 16h; Sealed tube;	2.4 g

: 100-00-5
4-chlorobenzonitrile

: 74-89-5
methylamine

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
In water for 16h; Pressure bomb;	93%
With copper In water at 100℃; for 24h; Ullmann reaction;	91.5%
With 1:1 complex of Cl- with methylamine In ethanol at 150℃; sealed tube;	84%
In ethanol at 130℃; for 6h;	79%
With ethanol at 160℃;

: methanamine hydrochloride salt

: 350-46-9
4-Fluoronitrobenzene

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 70℃; Inert atmosphere;	93%

: 593-51-1
methylamine hydrochloride

: 350-46-9
4-Fluoronitrobenzene

: 100-15-2
N-methyl(p-nitroaniline)

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 70℃; Inert atmosphere;	93%

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Specification

The N-Methyl-4-nitroaniline with CAS registry number of 100-15-2 is also known as p-(Methylamino)nitrobenzene. The IUPAC name and product name are the same. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds; C7Photonic and Optical Materials; Amines; Nitrogen Compounds; NLO Chromophores and Intermediates; Non-Linear Optical (NLO) Materials. Its EINECS registry number is 202-823-2. In addition, the formula is C₇H₈N₂O₂ and the molecular weight is 152.15. This chemical is a brownish-yellow crystalline powder which is soluble in acetone, benzene, slightly soluble in ethanol and insoluble in water. Besides, it is used in organic synthesis and also used as dye intermediates.

Physical properties about N-Methyl-4-nitroaniline are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.91; (5)ACD/BCF (pH 7.4): 20.91; (6)ACD/KOC (pH 5.5): 306.73; (7)ACD/KOC (pH 7.4): 306.73; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 42.4 cm³; (13)Molar Volume: 120.7 cm³; (14)Surface Tension: 50.3 dyne/cm; (15)Density: 1.26 g/cm³; (16)Flash Point: 129.5 °C; (17)Enthalpy of Vaporization: 53 kJ/mol; (18)Boiling Point: 290.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00205 mmHg at 25 °C.

Preparation of N-Methyl-4-nitroaniline: it is prepared by reaction of acetanilide of nitrate, iodomethane and ethanol. Firstly, acetone, nitro acetanilide and potassium hydroxide are mixed and refluxed. Meanwhile, dropping methyl iodide acetone solution and refluxing for another 4 hours. After reactant is placed overnight, crystal precipitated is washed with ethanol to get N-methyl-nitro acetanilide. Secondly, the reactant is mixed with ethanol, hydrochloric acid, and refluxed for 8 hours. Crude product is generated by washed and drying. At last, product is obtained by dissolution, filtration and precipitation of crystals.

Uses of N-Methyl-4-nitroaniline: it is used to produce N-methyl-4-nitro-N-nitroso-aniline. The reaction occurs with reagents NO, O₂ and solvent 1,2-dichloro-ethane with ambient temperature for 24 hours. The yield is about 90%.

N-Methyl-4-nitroaniline is used to produce N-methyl-4-nitro-N-nitroso-aniline.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is also toxic by inhalation, in contact with skin and if swallowed. What's more, it has danger of cumulative effects. During using it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNC1=CC=C(C=C1)[N+](=O)[O-]
2. InChI: InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
3. InChIKey: XIFJZJPMHNUGRA-UHFFFAOYSA-N