CAS 645-45-4|3-Phenylpropanoyl chloride
Introduction：Basic information about CAS 645-45-4|3-Phenylpropanoyl chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Phenylpropanoyl chloride | ||
|---|---|---|---|
| CAS Number | 645-45-4 | Molecular Weight | 168.620 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 232.0±0.0 °C at 760 mmHg |
| Molecular Formula | C9H9ClO | Melting Point | −7-−5 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 108.3±0.0 °C |
| Symbol | GHS05, GHS06 | Signal Word | Danger |
Names
| Name | 3-Phenylpropanoyl Chloride |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 232.0±0.0 °C at 760 mmHg |
| Melting Point | −7-−5 °C(lit.) |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.620 |
| Flash Point | 108.3±0.0 °C |
| Exact Mass | 168.034195 |
| PSA | 17.07000 |
| LogP | 2.65 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.528 |
| InChIKey | MFEILWXBDBCWKF-UHFFFAOYSA-N |
| SMILES | O=C(Cl)CCc1ccccc1 |
| Storage condition | -20°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,221,1954
Safety Information
| Symbol | GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314-H331 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R20;R34 |
| Safety Phrases | S26-S36/37/39-S45-S8-S30-S23 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| RTECS | MW5652395 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 29163900 |
Customs
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles3
More Articles| Asymmetric synthesis, structure, and reactivity of unexpectedly stable spiroepoxy-beta-lactones including facile conversion to tetronic acids: application to (+)-maculalactone A. J. Org. Chem. 74(13) , 4772-81, (2009) A novel class of small spirocyclic heterocycles, spiroepoxy-beta-lactones (1,4-dioxaspiro[2.3]-hexan-5-ones), is described that exhibit a number of interesting reactivity patterns. These spiroheterocy... | |
| Liver prenylated methylated protein methyl esterase is the same enzyme as Sus scrofa carboxylesterase. J. Biochem. Mol. Toxicol. 22(1) , 51-62, (2008) The C-terminal --COOH of prenylated proteins is methylated to --COOCH3. The --COOCH3 ester forms are hydrolyzed by prenylated methylated protein methyl esterase (PMPMEase) to the original acid forms. ... | |
| Electrochemical reduction of phenylacetyl chloride and hydrocinnamoyl chloride at mercury cathodes in acetonitrile. Mubarak MS, et al. J. Electroanal. Chem. 350(1) , 205-16, (1993) |
Synonyms
| MFCD00000748 |
| β-Phenylpropanoyl chloride |
| 3-Phenylpropionyl chloride |
| 3-Phenyl propanoyl chlovide |
| 3-Phenylpropanoyl chloride |
| β-Phenylpropionyl chloride |
| EINECS 211-443-6 |
| Benzenepropanoyl chloride |
