CAS No.38512-82-2,5-METHYL-2-NITROANISOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	38512-82-2
Name:	5-METHYL-2-NITROANISOLE
Article Data:	25

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	3-Methoxy-4-nitrotoluene;5-Methyl-2-nitroanisole;2-Nitro-5-methylanisole;2-Methoxy-4-methylnitrobenzene;2-Methoxy-4-methyl-1-nitrobenzene;Anisole,5-methyl-2-nitro- (7CI);NSC124451;3-Methyl-6-nitroanisole;
EINECS:	253-975-1
Density:	1.18 g/cm³
Melting Point:	58-60 °C (lit.)
Boiling Point:	292 °C at 760 mmHg
Flash Point:	142.9 °C
Hazard Symbols:	Xn, Xi
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	55.05000
LogP:	2.43500

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- China (Mainland)(47)
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Specification

The Benzene, 2-methoxy-4-methyl-1-nitro-, with the CAS registry number 38512-82-2, is also known as 5-Methyl-2-nitroanisole. It belongs to the product categories of Blocks; Nitro Compounds; Aromatic Hydrocarbons (substituted) & Derivatives; Pesticides & Metabolites; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. And its EINECS registry number is 253-975-1. This chemical's molecular formula is C₈H₉NO₃ and molecular weight is 167.16. What's more, its IUPAC name is 2-Methoxy-4-methyl-1-nitrobenzene.

Physical properties about Benzene, 2-methoxy-4-methyl-1-nitro- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.19; (6)ACD/BCF (pH 7.4): 27.19; (7)ACD/KOC (pH 5.5): 370.17; (8)ACD/KOC (pH 7.4): 370.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 44.3 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 17.56×10^-24 cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 142.9 °C; (20)Enthalpy of Vaporization: 51.02 kJ/mol; (21)Boiling Point: 292 °C at 760 mmHg; (22)Vapour Pressure: 0.0033 mmHg at 25 °C.

Preparation of Benzene, 2-methoxy-4-methyl-1-nitro-: this chemical is prepared by reaction of 5-Methyl-2-nitro-phenol with Sulfuric acid dimethyl ester. The reaction needs reagent aq. NaOH and solvent H₂O. The reaction temperature is 80 °C. The yield is about 90 %.

The Benzene, 2-methoxy-4-methyl-1-nitro- can be obtained by 5-Methyl-2-nitro-phenol and Sulfuric acid dimethyl ester.

Uses of Benzene, 2-methoxy-4-methyl-1-nitro-: it is used to produce other chemicals. For example, it is used to produce 2-Methoxy-4-methyl-aniline. This reaction needs reagent Hydrogen, catalyst 10 % Pd/C and solvent Ethanol. The yield is about 96 %.

Benzene, 2-methoxy-4-methyl-1-nitro- can be used to produce 2-Methoxy-4-methyl-aniline.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical is harmful if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1OC)C
(2) InChI: InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3
(3) InChIKey: XCOUVPWGTSKINY-UHFFFAOYAG