HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dichlorobenzonitrile
AKOS B004070 · 2,4-Dichlorobenzonit · 4-Dichlorobenzonitrile · Furosemide Impurity 58 · 2,4-Dichlor-Benzonitril · 2,4-DICHLOROBENZONITRILE · 2,4-Dichlorobenzonitrile>Benzonitrile, 2,4-dichloro- · 2,4-Dichlorobenzonitrile,98%
Identifiers & Physical Properties
| CAS No. | 6574-98-7 |
|---|---|
| Molecular formula | C7H3Cl2N |
| Average molar mass | 172.01 g/mol |
| Monoisotopic mass | 170.96425446 g/mol |
| SMILES | N#Cc1ccc(Cl)cc1Cl |
| InChIKey | GRUHREVRSOOQJG-UHFFFAOYSA-N |
| PubChem CID | 81050 |
| EC No. | 229-493-2 |
| DTXSID | DTXSID30215943 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 23.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 160 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Melting point | 57-61 °C |
| Boiling point | 125 °C / 15mmHg |
| Density | 1.4980 (rough estimate) |
| Refractive index | 1.6000 (estimate) |
| Storage conditions | Store below +30°C. |
| Solubility | soluble in Methanolinsoluble |
| Physical state | Solid:bulk |
| Color | White to Almost white |
| BRN | 637738 |
| InChI | InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| InChIKey | GRUHREVRSOOQJG-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Cl)C=C1Cl |
| CAS DataBase Reference | 6574-98-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,4-Dichlorobenzonitrile(6574-98-7) |
| UNSPSC Code | 12352117 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H319 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
| Hazard symbols | Xn,T,Xi |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 36/37/39-26-36-36/37-9 |
| UN transport number | 3276 |
| Water hazard class (WGK) | WGK 2 water endangering |
| Hazard Note | Irritant/Toxic |
| Hazard class | 6.1Acute Tox. 4 OralEye Irrit. 2 |
| Packing group | III |
| Customs code | 29269095 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Benzonitrile, 2,4-dichloro-Status: Active Update: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20401 |
| Hazard Classes and Categories | Acute Tox. 4 (93.8%) |
| Water hazard class (WGK) | WGK 2 water endangering |
| UN transport number | 3276 |
| Customs code | 29269095 |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,T,Xi |
| hazard_note | Irritant/Toxic |
| Safety statements (S) | 36/37/39-26-36-36/37-9 |
| Hazard class | 6.1Acute Tox. 4 OralEye Irrit. 2 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H302-H319 |
| REACH registrations | Active |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
Applications & Uses
Uses
Used as intermediate for the synthesis of agrochemicals, pharmaceuticals and chemical intermediates.