HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dichlorobenzyl isocyanate
2,4-DICHLOROBENZYL ISOCYANATE · 2,4-Dichlorobenzyl isocyanate 98% · 2,4-dichloro-1-(isocyanatomethyl)benzene · Benzene, 2,4-dichloro-1-(isocyanatomethyl)-
Identifiers & Physical Properties
| CAS No. | 19654-32-1 |
|---|---|
| Molecular formula | C8H5Cl2NO |
| Average molar mass | 202.03 g/mol |
| Monoisotopic mass | 200.9748192 g/mol |
| SMILES | O=C=NCc1ccc(Cl)cc1Cl |
| InChIKey | FUIUATRKBRZCQD-UHFFFAOYSA-N |
| PubChem CID | 4612708 |
| EC No. | 625-504-3 |
| DTXSID | DTXSID50404877 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 29.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 191 |
| Boiling point | 273 °C (lit.) |
| Density | 1.388 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.565(lit.) |
| Flash point | >230 °F |
| Storage conditions | 2-8°C |
| Physical state | Crystalline Powder |
| Color | White to yellow to light brown |
| InChI | 1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2 |
| InChIKey | FUIUATRKBRZCQD-UHFFFAOYSA-N |
| SMILES | Clc1ccc(CN=C=O)c(Cl)c1 |
| CAS DataBase Reference | 19654-32-1 |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302+H312+H332-H315-H317-H319-H334-H335 |
| GHS precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-36 |
| UN transport number | UN 2206 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazard class | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 2206 6.1/PG 3 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36 |
| Storage class |
Applications & Uses
Uses
2,4-Dichlorobenzyl isocyanate may be used in the preparation of N-(2,5-dichlorobenzyl)-1-(4-methoxybenzyl)-4,5-dihydro-1H-imidazol-2-amine.
General Description
2,4-Dichlorobenzyl isocyanate, also known as 2,4-dichloro-1-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.