2-methyl-5-nitroaniline

• ChemBase ID: 69487
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: Nc1c(ccc(c1)[N+](=O)[O-])C
• Canonical SMILES: [O-][N+](=O)c1ccc(c(c1)N)C
• InChI: InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
• InChIKey: DSBIJCMXAIKKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-nitroaniline
• IUPAC Traditional name: PNOT; fast scarlet G; 2-amino-4-nitrotoluene
• Synonyms: 2-Methyl-5-nitroaniline; 2-AMINO-4-NITROTOLUENE; 2-Amino-4-nitrotoluene; 5-Nitro-o-toluidine; 2-Methyl-5-nitroaniline; 2-Methyl-5-nitroaniline; 5-Nitro-o-toluidine; 2-氨基-4-硝基甲苯; 5-硝基邻甲苯胺; 2-甲基-5-硝基苯胺; 2-甲基-5-硝基苯胺; 5-硝基-邻甲苯胺

Database IDs

• CAS Number: 99-55-8
• EC Number: 202-765-8
• MDL Number: MFCD00007741
• Beilstein Number: 879021
• PubChem SID: 24867844; 162035213; 24897058; 24865111
• PubChem CID: 7444

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5976528
• LogD (pH = 7.4): 1.5977246
• Log P: 1.5977254
• Molar Refractivity: 42.1201 cm^3
• Polarizability: 15.11781 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-106 °C(lit.); 104-107°C; 105-108°C; 107-108°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: XU8225000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2660; UN2660
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25-40-52/53; R:45-58
• Safety Statements: 36/37-45-61; S:28-36/37/39-45-53-61
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H351-H402-H412; H301-H311-H331-H351-H412
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P311; P280H-P273-P302+P352-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2660 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 95+%; 97%; 98%; 99%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 1000 mg
• Feature: standard type Calibration
• Linear Formula: CH3C6H3(NO2)NH2

DETAILS

MP Biomedicals - 05204131

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M59386

Packaging
100 g in poly bottle

Sigma Aldrich - 402729

Packaging
100 g in poly bottle