CAS No.119-10-8,4-Methyl-2-nitroanisole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	119-10-8
Name:	4-Methyl-2-nitroanisole
Article Data:	37

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	Anisole,4-methyl-2-nitro- (6CI,7CI,8CI);1-Methoxy-4-methyl-2-nitrobenzene;2-Nitro-4-methylanisole;4-Methoxy-3-nitrotoluene;
EINECS:	204-296-4
Density:	1.181 g/cm³
Melting Point:	8-9 °C(lit.)
Boiling Point:	289.36 °C at 760 mmHg
Flash Point:	136.054 °C
Hazard Symbols:	Xi, Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	55.05000
LogP:	2.43500

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Specification

The Benzene,1-methoxy-4-methyl-2-nitro-, with the CAS registry number 119-10-8, has the IUPAC name of 1-methoxy-4-methyl-2-nitrobenzene. product categories: Intermediates of Dyes and Pigments; Aromatic Ethers; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks.

The physical properties of this chemical are as follows: (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; (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: 136.1 °C; (20)Enthalpy of Vaporization: 50.75 kJ/mol; (21)Boiling Point: 289.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00384 mmHg at 25°C; (23)Exact Mass: 167.058243; (24)MonoIsotopic Mass: 167.058243; (25)Topological Polar Surface Area: 55; (26)Heavy Atom Count: 12; (27)Complexity: 166.

The production method of this chemical: 1-methoxy-4-methyl-benzene could react to produce 4-methyl-2-nitro-phenol and Benzene,1-methoxy-4-methyl-2-nitro-. This reaction could happen in the presence of the reagent of glacial acetic acid and nitric acid, and it needs the reaction temperature of <10 ℃ .

The use of this chemical: Benzene,1-methoxy-4-methyl-2-nitro- could react to produce 4-bromomethyl-2-nitro-anisole. This reaction could happen in the presence of the reagent of NBS, benzoyl peroxide and the solvent of CCl₄ .

When you are dealing with this chemical, you should be very cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)OC)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3
(3)InChIKey: LGNMURXRPLMVJI-UHFFFAOYSA-N