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Benzenamine,N-ethyl-2-nitro-

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Name

Benzenamine,N-ethyl-2-nitro-

EINECS 233-305-4
CAS No. 10112-15-9 Density 1.21 g/cm3
PSA 57.85000 LogP 2.62280
Solubility N/A Melting Point 92.9°C (estimate)
Formula C8H10N2O2 Boiling Point 302.3 °C at 760 mmHg
Molecular Weight 166.18 Flash Point 136.6 °C
Transport Information N/A Appearance COA
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 10112-15-9 (N-ETHYL-2-NITROANILINE) Hazard Symbols HarmfulXn
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;

Article Data 34

Benzenamine,N-ethyl-2-nitro- 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

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