CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless, yellow, or reddish liquid; [HSDB] Yellow liquid; mp = 9-10 deg C; [MSDSonline] |
|---|---|
| Color/Form | Colorless to yellowish liquid |
| Boiling Point | 277 °C; 144 °C at 4 mm Hg |
| Melting Point | 10.5 °C |
| Flash Point | 124 °C |
| Solubility | Miscible with ethanol, ethyl ether; soluble in carbon tetrachloride |
| Density | 1.2540 g/cu cm at 20 °C |
| Vapor Density | Relative vapor density (air = 1): 5.29 |
| Vapor Pressure | 0.0036 [mmHg] |
| LogP | log Kow = 1.73 |
| Autoignition Temperature | 464 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxide/. |
| Viscosity | Liquid viscosity = 3.9768X10-3 at melting point |
| Surface Tension | 4.7471X10-2 N/m at melting point |
| Refractive Index | Index of refraction = 1.5161 at 20 °C/D |
| Kovats Retention Index | 1296 |
| Other Experimental Properties | UV: 6-111 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /3-Nitroanisole/ |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H350:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 153.14 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 153.042593085 g/mol |
| Monoisotopic Mass | 153.042593085 g/mol |
| Topological Polar Surface Area | 55 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 143 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-nitroanisole is a member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group. It has a role as a carcinogenic agent.