CAS No.619-31-8,N,N-DIMETHYL-3-NITROANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	619-31-8
Name:	N,N-DIMETHYL-3-NITROANILINE
Article Data:	46

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.18
Synonyms:	Aniline,N,N-dimethyl-m-nitro- (7CI,8CI);1-(Dimethylamino)-3-nitrobenzene;3-Nitro-N,N-dimethylaniline;N,N-Dimethyl-3-nitroaniline;N,N-Dimethyl-m-nitroaniline;NSC 9814;m-Nitro-N,N-dimethylaniline;
EINECS:	210-590-3
Density:	1.193 g/cm³
Melting Point:	57-61 °C
Boiling Point:	282.5 °C at 760 mmHg
Flash Point:	117 °C
Appearance:	red cyrstalline solid
Hazard Symbols:	T,Xn
Risk Codes:	36/37/38-23/24/25
Safety:	45-36/37/39-26-36/37
Transport Information:	2811
PSA:	49.06000
LogP:	2.18400

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- China (Mainland)(16)
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Specification

This chemical is called Benzenamine, N,N-dimethyl-3-nitro-, and its CAS registry number is 619-31-8. With the molecular formula of C₈H₁₀N₂O₂, its product categories are Aromatics Compounds; Aromatics; Intermediates. In addition, this chemical should be stored at normal temperature, away from oxides, strong acid.

Other characteristics of the Benzenamine, N,N-dimethyl-3-nitro- can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 49.06 Å²; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 47.11 cm³; (11)Molar Volume: 139.2 cm³; (12)Polarizability: 18.67×10^-24cm³; (13)Surface Tension: 47 dyne/cm; (14)Density: 1.193 g/cm³; (15)Flash Point: 117 °C; (16)Enthalpy of Vaporization: 52.14 kJ/mol; (17)Boiling Point: 282.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00334 mmHg at 25°C.

Production method of this chemical: The Benzenamine, N,N-dimethyl-3-nitro- could be obtained by the reactant of N,N-dimethyl-3-nitro-aniline-N-oxide. This reaction needs the reagent of (n-C₄H₉)₆Sn₂, and the solvent of tetrahydrofuran. The yield is 94 %. In addition, this reaction should be taken for 1 hour at the temperature of 50 °C.

Uses of this chemical: The Benzenamine, N,N-dimethyl-3-nitro- could react with perchloric acid methyl ester, and obtain the tri-N-methyl-3-nitro-anilinium; perchlorate. This reaction needs the solvent of benzene. It should be taken at 25 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: CN(C)c1cccc(c1)[N+]([O-])=O
2.InChI: InChI=1/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3
3.InChIKey: CJDICMLSLYHRPT-UHFFFAOYAB