635-22-3
Product Name:
4-Chloro-3-nitroaniline
Formula:
C6H5ClN2O2
Synonyms:
4-Amino-1-chloro-2-nitrobenzene
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow to tan solid; [Hawley] Yellow powder; [MSDSonline] |
|---|---|
| Color/Form | Yellow to tan powder |
| Melting Point | 103 °C |
| Solubility | Soluble in ether, chloroform; very soluble in ethanol; slightly soluble in ligroin |
| Vapor Pressure | 0.000485 [mmHg] |
| LogP | log Kow = 2.06 |
| Dissociation Constants | pKa = 1.90 (conjugate acid) |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H310:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe 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. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P314:Get medical advice/attention if you feel unwell. P320:Specific treatment is urgent (see … on this label). P330:Rinse mouth. P391:Collect spillage. Hazardous to the aquatic environment P302+P350:IF ON SKIN: Gently wash with plenty of soap and water. 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 | 172.57 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 172.0039551 g/mol |
| Monoisotopic Mass | 172.0039551 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 159 |
| 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 |