HuagongsheHuagongshe Chemistry Print Report · For research reference only
trans-Crotonyl chloride
(E)-But-2-enoyl chloride · CROTONYL CHLORIDE · CrotonoyL · Einecs 210-889-9 · (E)-CH3CH=CHCOCl · CROTONIC CHLORIDE · E-Crotonoylchloride · E-CROTONYL CHLORIDE
Identifiers & Physical Properties
| CAS No. | 10487-71-5 |
|---|---|
| Molecular formula | C4H5ClO |
| Average molar mass | 104.53 g/mol |
| Monoisotopic mass | 104.0028925 g/mol |
| SMILES | C/C=C/C(=O)Cl |
| InChIKey | RJUIDDKTATZJFE-NSCUHMNNSA-N |
| PubChem CID | 643131 |
| EC No. | 210-889-9 |
| DTXSID | DTXSID201314046 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 75 |
| Physical Description | Pale yellow liquid with an acrid odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 796 |
| Melting point | 72-74 °C |
| Boiling point | 120-123 °C(lit.) |
| Density | 1.091 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.459(lit.) |
| Flash point | 95 °F |
| Storage conditions | 2-8°C |
| Physical state | Liquid |
| Color | Clear colorless to brown |
| Solubility | Reacts with water. |
| Sensitivity | Moisture Sensitive |
| BRN | 506118 |
| InChI | InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+ |
| InChIKey | RJUIDDKTATZJFE-NSCUHMNNSA-N |
| SMILES | C(Cl)(=O)/C=C/C |
| CAS DataBase Reference | 625-35-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butenoyl chloride, (E)-(625-35-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H226-H314-H335 |
| GHS precautionary statements | P210-P233-P240-P280-P303+P361+P353-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 10-34-36/37-37 |
| Safety statements (S) | 16-26-27-36/37/39-45-28A-24/25 |
| UN transport number | UN 2920 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 13-19-21 |
| TSCA inventory status | Yes |
| Hazard class | 8Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3 |
| Packing group | II |
| Customs code | 29161900 |
| Storage class | 3 - Flammable liquids |
| 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 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 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. |
|---|---|
| Hazards summary | Reacts with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Corr. 1B (100%)STOT SE 3 (87.2%) |
| Adverse effects | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| F | 13-19-21 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | Yes |
| UN transport number | UN 2920 8/PG 2 |
| Customs code | 29161900 |
| Risk statements (R) | 10-34-36/37-37 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05,GHS07 |
| Hazard symbols | C |
| Safety statements (S) | 16-26-27-36/37/39-45-28A-24/25 |
| Hazard class | 8Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| Target organs | Respiratory system |
| GHS hazard statements | H226-H314-H335 |
| 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) |
| GHS precautionary statements | P210-P233-P240-P280-P303+P361+P353-P305+P351+P338 |
Applications & Uses
Uses
Crotonyl chloride is used in agrochemical, pharmaceutical and dyestuff field. Crotonoyl chloride was used in the synthesis of α,β-unsaturated ester.