CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isocyanic acid, 3,4-dichlorophenyl ester is a white to yellow solid. Used as a chemical intermediate and in organic synthesis. (EPA, 1998) |
|---|---|
| Color/Form | White to yellow crystals |
| Boiling Point | 244 °F at 18 mmHg (EPA, 1998) |
| Melting Point | 113 °F (EPA, 1998) |
| Vapor Pressure | VP: 5.6X10-1 mm Hg at 43 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen cyanide and nitrogen oxides/. |
| Viscosity | 2X10-3 Pa.s at melting point |
| Other Experimental Properties | Liquid Molar Volume = 0.1339 cu m/kmol |
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 188.01 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 186.9591691 g/mol |
| Monoisotopic Mass | 186.9591691 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 179 |
| 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
Isocyanic acid, 3,4-dichlorophenyl ester is a white to yellow solid. Used as a chemical intermediate and in organic synthesis. (EPA, 1998)