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77811-44-0

Basic Information
CAS No.: 77811-44-0
Name: 4-Bromo-2-methyl-6-nitroaniline
Article Data: 7
Molecular Structure:
Molecular Structure of 77811-44-0 (4-Bromo-2-methyl-6-nitroaniline)
Formula: C7H7BrN2O2
Molecular Weight: 231.049
Synonyms: 4-Bromo-2-methyl-6-nitrobenzenamine;4-Bromo-6-methyl-2-nitroaniline;4-Bromo-2-methyl-6-nitro-phenylamine;
EINECS: 615-013-2
Density: 1.698 g/cm3
Melting Point: 143-147 °C
Boiling Point: 326.8 °C at 760 mmHg
Flash Point: 151.4 °C
Solubility: Slightly soluble in water and soluble in hot methanol.
Appearance: orange to orange-brown glistening crystals
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36/37
PSA: 71.84000
LogP: 3.35230
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  • 4-Bromo-2-methyl-6-nitro-phenylamine

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    77811-44-0

    4-Bromo-2-methyl-6-nitro-phenylamine

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  • CAS:77811-44-0 C7H7BrN2O2

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    77811-44-0

    CAS:77811-44-0 C7H7BrN2O2

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  • 4-Bromo-2-methyl-6-nitroaniline

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    77811-44-0

    4-Bromo-2-methyl-6-nitroaniline

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  • CAS:77811-44-0 C7H7BrN2O2  CAS NO.77811-44-0

  • Casno:

    77811-44-0

    CAS:77811-44-0 C7H7BrN2O2 CAS NO.77811-44-0

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  • 4-Bromo-2-methyl-6-nitroaniline

  • Casno:

    77811-44-0

    4-Bromo-2-methyl-6-nitroaniline

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Specification

The Benzenamine,4-bromo-2-methyl-6-nitro-, with CAS registry number 77811-44-0, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Anilines, Amides & Amines; (3)Bromine Compounds; (4)Nitro Compounds; (5)Amines; (6)C7; (7)Nitrogen Compounds. It has the systematic name of 4-bromo-2-methyl-6-nitroaniline. This chemical is a kind of orange to orange-brown glistening crystals.

Physical properties of Benzenamine,4-bromo-2-methyl-6-nitro-: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 161.36; (6)ACD/BCF (pH 7.4): 161.36; (7)ACD/KOC (pH 5.5): 1324.17; (8)ACD/KOC (pH 7.4): 1324.17; (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: 1.648; (14)Molar Refractivity: 49.54 cm3; (15)Molar Volume: 136 cm3; (16)Polarizability: 19.64×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.698 g/cm3; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 56.91 kJ/mol; (21)Boiling Point: 326.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000211 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-6-nitro-aniline. This reaction will need reagent N-bromosuccinimide and solvent CCl4. The yield is about 60%.

Uses of Benzenamine,4-bromo-2-methyl-6-nitro-: it can be used to produce 5-bromo-7-nitro-1H-indazole. This reaction will need reagents NaNO2, AcOH. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-bromo-2-methyl-6-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1cc(c(N)c(c1)C)[N+]([O-])=O
(2)InChI: InChI=1/C7H7BrN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
(3)InChIKey: ZXFVKFUXKFPUQJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H7BrN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
(5)Std. InChIKey: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N