95-51-2
Product Name:
2-Chloroaniline
Formula:
C6H6ClN
Synonyms:
2-Chloroaniline;o-Chloroaniline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | O-chloroaniline is a clear amber liquid with an amine odor. Occurs in both alpha and beta forms. (NTP, 1992) |
|---|---|
| Color/Form | Amber liquid |
| Odor | Characteristic sweet odor |
| Boiling Point | 406 to 410 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 28.5 °F (NTP, 1992) |
| Flash Point | 208 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 1.213 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 4.4 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at 115.3 °F ; 5 mmHg at 162.1 °F; 760 mmHg at 407.8 °F (NTP, 1992) |
| LogP | log Kow = 1.90 |
| Henry's Law Constant | Henry's Law constant= 5.39X10-6 (atm-cu m)/mol at 25 °C /Estimated/ |
| Stability/Shelf Life | Darkens on exposure to air. |
| Autoignition Temperature | >/=500 °C |
| Decomposition | When heated to decomposition, it emits toxic fumes of /hydrogen chloride and nitrogen oxides/. |
| Viscosity | 2.9157 cP at 20 °C |
| Heat of Vaporization | 13.565 kcal/mol at 25 °C; 10.60 kcal/mol at boiling point |
| Surface Tension | 43.66 dynes/cm at 20 °C |
| Ionization Efficiency | Positive |
| Refractive Index | Index of refraction = 1.5895 at 20 °C/D |
| Dissociation Constants | pKa = 2.661 at 25 °C (conjugate acid) |
| Kovats Retention Index | 1095.4 1144 1093 1095 1097 1093 1093 1092 1094 1094 |
| Other Experimental Properties | Antoine coefficients: A= 4.15776, B= 1646.915, C= -85.259; Temperature range= 46.3-208.3 °C |
| 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 |
H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity 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. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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
O-chloroaniline is a clear amber liquid with an amine odor. Occurs in both alpha and beta forms. (NTP, 1992)