HuagongsheHuagongshe Chemistry Print Report · For research reference only
Chlorophenyl isocyanate
2-Chlorophenyl · 2-CHLOROPHENYL ISOCYANATE · o-chlorophenylcarbonimide · O-CHLOROPHENYL ISOCYANATE · 2-chlorophenylcarbonimide · 2-ChlorophenylIsocyanate>1-chloro-2-isocyanato-benzen · 1-chloro-2-isocyanato-benzene · 2-CHLOROPHENYL ISOCYANATE 99%
Identifiers & Physical Properties
| CAS No. | 3320-83-0 |
|---|---|
| Molecular formula | C7H4ClNO |
| Average molar mass | 153.56 g/mol |
| Monoisotopic mass | 152.99814143 g/mol |
| SMILES | O=C=Nc1ccccc1Cl |
| InChIKey | NOHQUGRVHSJYMR-UHFFFAOYSA-N |
| PubChem CID | 76833 |
| EC No. | 222-023-7 |
| DTXSID | DTXSID5062974 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 29.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 154 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 2-4 °C |
| Boiling point | 83-84 °C (10 mmHg) |
| Density | 1.273 g/mL at 25 °C(lit.) |
| Refractive index | 1.5565-1.5585 |
| Flash point | 88 °C |
| Solubility | Decomposes |
| Physical state | liquid |
| Color | Clear, colourless |
| Sensitivity | Moisture Sensitive/Lachrymatory |
| BRN | 386478 |
| InChI | InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
| InChIKey | NOHQUGRVHSJYMR-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=CC=C1N=C=O |
| CAS DataBase Reference | 3320-83-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-chloro-2-isocyanato-(3320-83-0) |
| EPA Substance Registry System | Benzene, 1-chloro-2-isocyanato- (3320-83-0) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS05,GHS06,GHS08,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H227-H318-H334-H401-H411-H314-H317-H330 |
| GHS precautionary statements | P303+P361+P353-P304+P340-P320-P405-P501a-P260-P280-P284-P305+P351+P338-P310 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | T,C,N,T+ |
| Risk statements (R) | 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26 |
| Safety statements (S) | 45-38-36/37/39-28A-26-23-61-28 |
| UN transport number | 2206 |
| Water hazard class (WGK) | 2 |
| Hazard Note | Toxic/Corrosive/Lachrymatory/Moisture Sensitive |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1A |
| Packing group | II |
| Customs code | 29291090 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| REACH registrations | Active |
| Limited quantities | 100ml (liquid) or 0.5 Kg (solid) |
| Excepted quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5200 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| UN transport number | 2206 |
| Customs code | 29291090 |
| Risk statements (R) | 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06,GHS08,GHS09 |
| Hazard symbols | T,C,N,T+ |
| hazard_note | Toxic/Corrosive/Lachrymatory/Moisture Sensitive |
| Safety statements (S) | 45-38-36/37/39-28A-26-23-61-28 |
| Hazard class | 6.1Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1A |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Packing group | II |
| GHS hazard statements | H227-H318-H334-H401-H411-H314-H317-H330 |
| Limited quantities | 100ml (liquid) or 0.5 Kg (solid) |
| Excepted quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| GHS precautionary statements | P303+P361+P353-P304+P340-P320-P405-P501a-P260-P280-P284-P305+P351+P338-P310 |
Applications & Uses
Uses
2-Chlorophenyl isocyanate has been used:as standard to investigate the photocatalytic degradation of Monuron over TiO2 suspensionsin the preparation of 2-(2-chlorophenylamino)-3,5-dihydro-5,5-dimethyl-3-phenyl-6H-imidazo[1,2-b]-1,2,4-triazol-6-onein synthesis of pentenylated β-cyclodextrin chlorophenyl carbamates