HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chlorisocyanatobenzol
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%
Identifikatoren & physikalische Daten
| CAS No. | 3320-83-0 |
|---|---|
| Summenformel | C7H4ClNO |
| Durchschnittliche Molmasse | 153,56 g/mol |
| Monoisotopische Masse | 152,99814143 g/mol |
| SMILES | O=C=Nc1ccccc1Cl |
| InChIKey | NOHQUGRVHSJYMR-UHFFFAOYSA-N |
| PubChem CID | 76833 |
| EC No. | 222-023-7 |
| DTXSID | DTXSID5062974 |
| Lokaler Name | 2-Chlorphenylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 154 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 2-4 °C |
| Siedepunkt | 83-84 °C (10 mmHg) |
| Dichte | 1.273 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.5565-1.5585 |
| Flammpunkt | 88 °C |
| Löslichkeit | Decomposes |
| Aggregatzustand | liquid |
| Farbe | Clear, colourless |
| 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 Datenbank | 3320-83-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-chloro-2-isocyanato-(3320-83-0) |
| EPA chemische Informationen | Benzene, 1-chloro-2-isocyanato- (3320-83-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5200 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2206 |
| Zollcode | 29291090 |
| R-Sätze (R) | 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26 |
| Gefahrensymbole | T,C,N,T+ |
| hazard_note | Toxic/Corrosive/Lachrymatory/Moisture Sensitive |
| Sicherheitshinweise (S) | 45-38-36/37/39-28A-26-23-61-28 |
| Gefahrenklasse | 6.1Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
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