CAS No.10112-15-9,N-ETHYL-2-NITROANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10112-15-9
Name:	N-ETHYL-2-NITROANILINE
Article Data:	34

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.18
Synonyms:	Aniline,N-ethyl-o-nitro- (6CI,7CI,8CI);2-Nitro-N-ethylaniline;Ethyl(2-nitrophenyl)amine;N-Ethyl-2-nitroaniline;N-Ethyl-2-nitrobenzenamine;N-Ethyl-o-nitroaniline;o-(Ethylamino)nitrobenzene;
EINECS:	233-305-4
Density:	1.21 g/cm³
Melting Point:	92.9°C (estimate)
Boiling Point:	302.3 °C at 760 mmHg
Flash Point:	136.6 °C
Appearance:	COA
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-37/39
PSA:	57.85000
LogP:	2.62280

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Specification

The Benzenamine,N-ethyl-2-nitro-, with its CAS registry number 10112-15-9, has the systematic name of N-ethyl-4-nitroaniline. And it has the molecular formula of C₈H₁₀N₂O₂ and the molecular weight of 166.18. Besides, it belongs to the product categories which include Amines; C8; Nitrogen Compounds. When store it, you should keep it in the dry and well-ventilated place, away from the strong oxidizer, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Benzenamine,N-ethyl-2-nitro- are as follows: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.99; (6)ACD/BCF (pH 7.4): 52.99; (7)ACD/KOC (pH 5.5): 596.76; (8)ACD/KOC (pH 7.4): 596.78; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 47.04 cm³; (15)Molar Volume: 137.2 cm³; (16)Polarizability: 18.64×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 54.25 kJ/mol; (21)Boiling Point: 302.3 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Use of this chemical: Benzenamine,N-ethyl-2-nitro- could react with formaldehyde to produce 4,4'-Methylen-bis-(N-aethyl-2-nitro-anilin), and it could happen in the reagent of aq. HCl.

Production method of this chemical: Acetaldehyde could react with 2-nitro-aniline to produce benzenamine,N-ethyl-2-nitro-, and it could happen in the reagent of NaBH4, 3MH₂SO₄ and the solvent of tetrahydrofuran with the room temperature.

When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause damage to health. And it is harmful if by inhalation, in contact with skin and if swallowed. Therefore, you should be careful. Wear suitable gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:[O-][N+](=O)c1ccc(NCC)cc1
(2)InChI:InChI=1/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
(3)InChIKey:XBNNLAWQCMDISJ-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
(5)Std. InChIKey:XBNNLAWQCMDISJ-UHFFFAOYSA-N