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50741-92-9

Basic Information
CAS No.: 50741-92-9
Name: 2-METHYL-4-NITROANISOLE 97
Article Data: 29
Molecular Structure:
Molecular Structure of 50741-92-9 (2-METHYL-4-NITROANISOLE  97)
Formula: C8H9NO3
Molecular Weight: 167.164
Synonyms: 2-Methoxy-5-Nitro Toluene;2-Methyl-4-Nitroanisole;Benzene, 1-methoxy-2-methyl-4-nitro-;Methyl 2-methyl-4-nitrophenyl ether;5-Methoxy-2-nitro-p-toluidine;
EINECS: 256-748-5
Density: 1.18 g/cm3
Melting Point: 61-64 °C(lit.)
Boiling Point: 283 °C at 760 mmHg
Flash Point: 136.7 °C
Appearance: Off-white solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 55.05000
LogP: 2.43500
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    50741-92-9

    1-Methoxy-2-Methyl-4-nitrobenzene

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    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

  • Shanghai chamflyer chemicals Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-21-60545191

    Address:No 38 Debao Road, Pudong New District, Shanghai

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  • 2-methyl-4-nitroanisole

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    50741-92-9

    2-methyl-4-nitroanisole

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    CFTC?PharmaChem?is?a?service?based?company?in?China,?a?pharmachem?division?of?Changzhou?Foreign?Trade?Corp.,supplying?raw?materials,?intermediates,?APIs?and?fine?chemicals?for?the?pharmaceutical?and?specialty?chemical?industries?worldwide. Applicatio

    CFTC PharmaChem is a service based company in China, a pharmachem division of Changzhou Foreign Trade Corp.,supplying raw materials, intermediates, APIs and fine chemicals for the

  • Changzhou Foreign Trade Corp

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    Business Type:Trading Company

    Tel:+86-519-86623222

    Address:29F/D, 99 Yanling West Road, Changzhou, Jiangsu, China

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Specification

The 1-methoxy-2-methyl-4-nitro-benzene, with the CAS registry number 50741-92-9 and EINECS registry number 256-748-5, has the systematic name and IUPAC name of 1-methoxy-2-methyl-4-nitrobenzene. It is a kind of off-white solid, and belongs to the following product categories: Aromatics Compounds; Aromatics; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C8H9NO3.

The characteristics of 1-methoxy-2-methyl-4-nitro-benzene are as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.97; (6)ACD/BCF (pH 7.4): 45.97; (7)ACD/KOC (pH 5.5): 539.02; (8)ACD/KOC (pH 7.4): 539.02; (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: 17.56×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 136.7 °C; (20)Enthalpy of Vaporization: 50.09 kJ/mol; (21)Boiling Point: 283 °C at 760 mmHg; (22)Vapour Pressure: 0.00556 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(c1)C
(2)InChI: InChI=1/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
(3)InChIKey: QOZMIJZYJZQOBV-UHFFFAOYAK