Product Name

  • Name

    5-METHOXY-2-NITRO-P-TOLUIDINE

  • EINECS
  • CAS No. 86771-76-8
  • Article Data2
  • CAS DataBase
  • Density 1.267 g/cm3
  • Solubility
  • Melting Point 155.5℃
  • Formula C8H10N2O3
  • Boiling Point 361.634 °C at 760 mmHg
  • Molecular Weight 182.179
  • Flash Point 172.51 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 20/21/22
  • Molecular Structure Molecular Structure of 86771-76-8 (5-METHOXY-2-NITRO-P-TOLUIDINE)
  • Hazard Symbols
  • Synonyms m-Anisidine,4-methyl-6-nitro- (6CI);1-Amino-5-methoxy-4-methyl-2-nitrobenzene;2-Nitro-4-methyl-5-methoxyaniline;5-Methoxy-4-methyl-2-nitroaniline;
  • PSA 81.07000
  • LogP 2.59840

Benzenamine,5-methoxy-4-methyl-2-nitro- Specification

The Benzenamine, 5-methoxy-4-methyl-2-nitro-, with the CAS registry number of 86771-76-8, is also known as 5-Methoxy-4-methyl-2-nitroaniline and 5-Methoxy-2-nitro-p-toluidine. This chemical's molecular formula is C8H10N2O3 and molecular weight is 182.18. What's more, its IUPAC name is 1-Methoxy-2-methyl-4-nitrobenzene.

Physical properties about Benzenamine, 5-methoxy-4-methyl-2-nitro- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.274; (4)ACD/LogD (pH 7.4): 2.274; (5)ACD/BCF (pH 5.5): 31.477; (6)ACD/BCF (pH 7.4): 31.478; (7)ACD/KOC (pH 5.5): 411.039; (8)ACD/KOC (pH 7.4): 411.041; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.07 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 48.538 cm3; (15)Molar Volume: 143.833 cm3; (16)Polarizability: 19.242×10-24 cm3; (17)Surface Tension: 50.227 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 172.51 °C; (20)Enthalpy of Vaporization: 60.749 kJ/mol; (21)Boiling Point: 361.634 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(c(cc1OC)N)[N+](=O)[O-]
(2) InChI: InChI=1/C8H10N2O3/c1-5-3-7(10(11)12)6(9)4-8(5)13-2/h3-4H,9H2,1-2H3
(3) InChIKey: HNGPMYQSCBNTRB-UHFFFAOYAR

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