89-87-2
Product Name:
4-Nitro-1,3-dimethylbenzene
Formula:
C8H9NO2
Synonyms:
1,3-Dimethyl-4-nitrobenzene;4-Nitro-m-xylene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,3-dimethyl-4-nitrobenzene is a light yellow to amber liquid. (NTP, 1992) |
|---|---|
| Boiling Point | 459 to 462 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 36 °F (NTP, 1992) |
| Flash Point | 225 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.135 at 59 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 1 mmHg at 150.1 °F ; 760 mmHg at 471.2 °F (NTP, 1992) |
| Kovats Retention Index | 1205.3 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 151.16 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 151.063328530 g/mol |
| Monoisotopic Mass | 151.063328530 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153 |
| 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
1,3-dimethyl-4-nitrobenzene is a light yellow to amber liquid. (NTP, 1992)