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) |
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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 |
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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 |
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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)