CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Triclinic crystals or light fluffy white powder. (NTP, 1992) |
|---|---|
| Color/Form | Triclinic prisms from alcohol and ether |
| Boiling Point | Sublimes (NTP, 1992) |
| Melting Point | 469 °F (NTP, 1992) |
| Flash Point | 238 °C |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| Density | 1.541 at 75 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | Relative vapor density (air = 1): 5.4 |
| Vapor Pressure | 0.00233 [mmHg] |
| LogP | 2.65 |
| LogS | -3.31 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 545 °C |
| Decomposition | When heated to decomposition is emits toxic vapors of chloride. |
| Dissociation Constants | 3.98 (at 25 °C) |
| Collision Cross Section | 127.6 Ų [M-H]- |
| Kovats Retention Index | 1336 |
| Other Experimental Properties | White, odorless, crystalline powder, freely soluble in water /p-Chlorobenzoic acid, sodium salt/ |
| Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 156.56 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 155.9978071 g/mol |
| Monoisotopic Mass | 155.9978071 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 128 |
| 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
Triclinic crystals or light fluffy white powder. (NTP, 1992)