121-86-8
Product Name:
2-Chloro-4-nitrotoluene
Formula:
C7H6ClNO2
Synonyms:
2-Chloro-1-methyl-4-nitrobenzene
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] Pale yellow crystalline powder or lumps; [MSDSonline] |
|---|---|
| Color/Form | NEEDLES FROM ALCOHOL |
| Boiling Point | 260 °C AT 760 MM HG |
| Melting Point | 68 °C |
| Flash Point | 138 °C |
| Solubility | SOL IN ALCOHOL, ETHER |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5470 AT 69 °C/D |
| Kovats Retention Index | 1316 1316 |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H320:Serious eye damage/eye irritation H401:Hazardous to the aquatic environment, acute hazard H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P321:Specific treatment (see … on this label). P391:Collect spillage. Hazardous to the aquatic environment P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 171.58 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.0087061 g/mol |
| Monoisotopic Mass | 171.0087061 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157 |
| 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-chloro-4-nitrotoluene is a nitrotoluene that is p-nitrotoluene in which one of the hydrogens that is ortho to the methyl group has been replaced by a chlorine. A pale yellow crystalline compound that is insoluble in water but dissolves in most organic solvents, it is used in the manufacture of dyes. It is a member of monochlorobenzenes and a nitrotoluene.
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