HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Phenylprop-2-enoyl chloride
Cinnamoyl · Cinnamic chloride · CINNAMIC ACID CHLORIDE · TRANS-CINNAMOYL CHLORIDE · 3-PHENYL-2-PROPENOYL CHLORIDE · (E)-3-phenylprop-2-enoyl chloride · (2E)-3-phenylprop-2-enoyl chloride · Ciamoyl chloride
Identifiers & Physical Properties
| CAS No. | 102-92-1 |
|---|---|
| Molecular formula | C9H7ClO |
| Average molar mass | 166.6 g/mol |
| Monoisotopic mass | 166.0185425 g/mol |
| SMILES | O=C(Cl)C=Cc1ccccc1 |
| InChIKey | WOGITNXCNOTRLK-UHFFFAOYSA-N |
| PubChem CID | 66023 |
| DTXSID | DTXSID3059264 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 157 |
| Melting point | 35-37 °C (lit.) |
| Boiling point | 256-258 °C (lit.) |
| Density | d445.3 1.1617 |
| Refractive index | nD42.5 1.614 |
| Flash point | >230 °F |
| Storage conditions | 2-8°C |
| Solubility | dioxane: 0.1 g/mL, clearDECOMPOSES |
| Physical state | Crystalline Solid |
| Color | White to yellow |
| Merck | 13,2323 |
| BRN | 606265 |
| InChI | 1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+ |
| InChIKey | WOGITNXCNOTRLK-VOTSOKGWSA-N |
| SMILES | ClC(=O)\C=C\c1ccccc1 |
| CAS DataBase Reference | 102-92-1(CAS DataBase Reference) |
| FDA UNII | 04L46S032W |
| NIST Chemistry Reference | 2-Propenoyl chloride, 3-phenyl-(102-92-1) |
| EPA Substance Registry System | 2-Propenoyl chloride, 3-phenyl- (102-92-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C |
| Risk statements (R) | 34-29-20-14 |
| Safety statements (S) | 26-36/37/39-45-25-30-23-8 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 10-21 |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Skin Corr. 1B |
| Packing group | III |
| Customs code | 29163990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
Safety & Regulations
| F | 10-21 |
|---|---|
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29163990 |
| Risk statements (R) | 34-29-20-14 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45-25-30-23-8 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
Applications & Uses
Uses
Titrimetric determination of small amounts of water.