4-Chlorophenyl isocyanate
- Product Name4-Chlorophenyl isocyanate
- CAS104-12-1
- MFC7H4ClNO
- MW153.57
- EINECS203-176-9
- MOL File104-12-1.mol
Chemical Properties
| Melting point | 26-29 °C (lit.) |
| Boiling point | 203-204 °C (lit.) |
| Density | 1.2 g/mL at 25 °C (lit.) |
| vapor pressure | 30Pa at 20℃ |
| refractive index | n |
| Flash point | >230 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly) |
| form | Crystalline Solid |
| color | White to yellow |
| Odor | sharp irritating odor |
| Water Solubility | DECOMPOSES |
| Sensitive | Moisture Sensitive/Lachrymatory |
| BRN | 386235 |
| Henry's Law Constant | 5.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | ADAKRBAJFHTIEW-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)N=C=O |
Safety Information
| Hazard Codes | T+,T,C |
| Risk Statements | 25-26-37/38-41-42-52/53 |
| Safety Statements | 23-26-28-36/37/39-45-61-38-37/39-28A-22 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | NQ8575000 |
| F | 10-19-21 |
| Hazard Note | Toxic/Corrosive/Lachrymatory/Moisture Sensitive |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29291090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Resp. Sens. 1 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 104-12-1(Hazardous Substances Data) |
| Toxicity | mammal (species unspecified),LC50,inhalation,53mg/m3 (53mg/m3),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 11(4), Pg. 23, 1967. |
