108-42-9
Product Name:
3-Chloroaniline
Formula:
C6H6ClN
Synonyms:
3-Chloroaniline;m-Chloroaniline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | M-chloroaniline is a colorless to light amber liquid with a sweet odor. (NTP, 1992) |
|---|---|
| Color/Form | Colorless to light amber, tends to darken during storage |
| Odor | Characteristic sweet odor |
| Boiling Point | 446.9 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 13.5 °F (NTP, 1992) |
| Flash Point | 255 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Density | 1.216 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 4.41 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | less than 0.1 mmHg at 86 °F ; 1 mmHg at 146.3 °F; 760 mmHg at 443.3 °F (NTP, 1992) |
| LogP | log Kow = 1.88 |
| Henry's Law Constant | Henry's Law constant = 1.0X10-6 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Tends to darken during storage. |
| Autoignition Temperature | >540 °C |
| Decomposition | When heated to decomposition, it emits toxic fumes of /hydrogen chloride and nitrogen oxides/. |
| Refractive Index | Index of refraction: 1.5931 at 20 °C/D |
| Dissociation Constants | pKa = 3.521 at 25 °C (conjugate acid) |
| Kovats Retention Index | 1160.6 1204 1204 1157 1157 1157 1156 1155 1158 |
| Other Experimental Properties | Heat of decomposition was determined as zero. |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 127.57 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 127.0188769 g/mol |
| Monoisotopic Mass | 127.0188769 g/mol |
| Topological Polar Surface Area | 26 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 74.9 |
| 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
M-chloroaniline is a colorless to light amber liquid with a sweet odor. (NTP, 1992)