HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dichlorobenzoyl chloride
2,4-Dichlorobenzoyl · DCOC · 2,4-DCOC · BUTTPARK 45\07-36 · 2,4-Dichlorbenzoylchlorid · DICHLOROBENZOYLCHLORIDE-2,4 · 2,4-dichloro-benzoylchlorid · 2,4-Dichlorobenzoyl chloride
Identifiers & Physical Properties
| CAS No. | 89-75-8 |
|---|---|
| Molecular formula | C7H3Cl3O |
| Average molar mass | 209.5 g/mol |
| Monoisotopic mass | 207.92494776 g/mol |
| SMILES | O=C(Cl)c1ccc(Cl)cc1Cl |
| InChIKey | CEOCVKWBUWKBKA-UHFFFAOYSA-N |
| PubChem CID | 66645 |
| ChEMBL | CHEMBL3561077 |
| EC No. | 201-936-4 |
| DTXSID | DTXSID2052603 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 160 |
| Chemical classes | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Colorless solid or liquidmp = 21 deg C[Acros Organics MSDS] |
| Melting point | 16-18 °C (lit.) |
| Boiling point | 150 °C/34 mmHg (lit.) |
| Density | 1.494 g/mL at 25 °C (lit.) |
| Vapor pressure | 0.1 mm Hg ( 32 °C) |
| Refractive index | n20/D 1.592(lit.) |
| Flash point | 280 °F |
| Storage conditions | Store below +30°C. |
| Solubility | soluble in Benzene,Ether,TolueneReacts with water. Soluble in toluene. |
| Physical state | Liquid After Melting |
| Color | Clear colorless to slightly colored |
| Freezing point | 19.0 to 22.0 ℃ |
| Sensitivity | Moisture Sensitive |
| BRN | 608234 |
| InChI | 1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H |
| InChIKey | CEOCVKWBUWKBKA-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(Cl)cc1Cl |
| LogP (partition coefficient) | 2.82 at 25℃ |
| CAS DataBase Reference | 89-75-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoyl chloride, 2,4-dichloro-(89-75-8) |
| EPA Substance Registry System | Benzoyl chloride, 2,4-dichloro- (89-75-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H303+H313-H314-H290 |
| GHS precautionary statements | P501-P234-P264-P280-P390-P312-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34-36/37 |
| Safety statements (S) | 26-27-36/37/39-45 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| RTECS number | DM6636766 |
| F | 10-19-21 |
| Hazard Note | Corrosive |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29163900 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 87 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Benzoyl chloride, 2,4-dichloro-Status: Active Update: 15-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/59262,4-Dichlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | Hydrolyzed by water or moisture producing gaseous and aqueous hydrogen chlorideCauses burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract[Acros Organics MSDS] See Benzoyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Adverse effects | Dermatotoxin - Skin burns. |
| F | 10-19-21 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | DM6636766 |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 29163900 |
| Risk statements (R) | 34-36/37 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| hazard_note | Corrosive |
| Safety statements (S) | 26-27-36/37/39-45 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H303+H313-H314-H290 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| GHS precautionary statements | P501-P234-P264-P280-P390-P312-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 |
Applications & Uses
Uses
2,4-Dichlorobenzoyl chloride was used in the synthesis of thioesters of 4-chlorobenzoate and 2,4-dichlorobenzoate.