104-12-1
Product Name:
4-Chlorophenyl isocyanate
Formula:
C7H4ClNO
Synonyms:
4-Isocyanato chlorobenzene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | P-chlorophenyl isocyanate appears as colorless to yellow liquid or crystals. Used as an intermediate in pesticide and pharmaceutical manufacture. |
|---|---|
| Color/Form | Colorless to slightly yellow liquid or crystals |
| Boiling Point | 204 °C |
| Melting Point | 31.3 °C |
| Flash Point | 110 °C |
| Solubility | Soluble in organic solvents |
| Density | Density: 1.25 g/cu cm at 40 °C |
| Vapor Pressure | 95.4 [mmHg] |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride, hydrogen cyanide and nitrogen oxides/. |
| Refractive Index | Index of refraction: 1.5543 at 40 °C/D |
| Kovats Retention Index | 1100 |
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. 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 | 153.56 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 152.9981414 g/mol |
| Monoisotopic Mass | 152.9981414 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 146 |
| 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
P-chlorophenyl isocyanate appears as colorless to yellow liquid or crystals. Used as an intermediate in pesticide and pharmaceutical manufacture.