CAS No.16947-63-0,2-6-DIMETHYL-4-NITROANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16947-63-0
Name:	2-6-DIMETHYL-4-NITROANILINE
Article Data:	16

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.18
Synonyms:	2,6-Xylidine,4-nitro- (6CI,7CI,8CI);2,6-Dimethyl-4-nitroaniline;2,6-Dimethyl-4-nitrobenzenamine;2,6-Dimethyl-4-nitrophenylamine;4-Nitro-2,6-xylidine;NSC 101580;2,6-Dimethyl-4-nitro-phenylamine;
Density:	1.22 g/cm³
Melting Point:	165 °C
Boiling Point:	352.6 °C at 760 mmHg
Flash Point:	167 °C
PSA:	71.84000
LogP:	2.89820

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Specification

The Benzenamine,2,6-dimethyl-4-nitro-, with the CAS registry number 16947-63-0, is also known as 2,6-Dimethyl-4-nitrophenylamine. This chemical's molecular formula is C₈H₁₀N₂O₂ and molecular weight is 166.18. What's more, its systematic name is 2,6-dimethyl-4-nitroaniline.

Physical properties of Benzenamine,2,6-dimethyl-4-nitro- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.55; (6)ACD/BCF (pH 7.4): 33.55; (7)ACD/KOC (pH 5.5): 430.25; (8)ACD/KOC (pH 7.4): 430.25; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 46.68 cm³; (15)Molar Volume: 136.1 cm³; (16)Polarizability: 18.5×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 167 °C; (20)Enthalpy of Vaporization: 59.74 kJ/mol; (21)Boiling Point: 352.6 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-05 mmHg at 25°C.

Preparation of Benzenamine,2,6-dimethyl-4-nitro-: this chemical can be prepared by toluene-4-sulfonic acid-(2,6-dimethyl-4-nitro-anilide) at the ambient temperature. This reaction will need reagent aq. H₂SO₄ with the reaction time of 15 hours. The yield is about 82%.

Benzenamine,2,6-dimethyl-4-nitro- can be prepared by toluene-4-sulfonic acid-(2,6-dimethyl-4-nitro-anilide) at the ambient temperature

Uses of Benzenamine,2,6-dimethyl-4-nitro-: it can be used to produce chloro-acetic acid-(2,6-dimethyl-4-nitro-anilide) at the ambient temperature. It will need reagent Et₃N and solvent diethyl ether with the reaction time of 6 hours. The yield is about 77%.

Benzenamine,2,6-dimethyl-4-nitro- can be used to produce chloro-acetic acid-(2,6-dimethyl-4-nitro-anilide) at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1N)C)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H10N2O2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,9H2,1-2H3
(3)InChIKey: NSBSVUUVECHDDX-UHFFFAOYSA-N