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CAS NO.3874-54-2
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| 4-Chloro-4'-fluorobutyrophenone Basic information |
| Product Name: | 4-Chloro-4'-fluorobutyrophenone |
| Synonyms: | GAMMA-CHLORO-4-FLUOROBUTYROPHENONE;GAMMA-CHLORO-P-FLUOROBUTYROPHENONE;G-CHLORO-P-FLUOROBUTYROPHENONE;AKOS BBS-00006481;4-CHLORO-1-(4-FLUOROPHENYL)-1-BUTANONE;4-CHLORO-1-(4-FLUOROPHENYL)-1-OXOBUTANE;4-CHLORO-4'-FLUOROBUTYROPHENONE;4-CHLORO-4-FLUOROBUTYROPHENONE |
| CAS: | 3874-54-2 |
| MF: | C10H10ClFO |
| MW: | 200.64 |
| EINECS: | 223-395-3 |
| Product Categories: | ketone;Fluorobenzene;C10;Carbonyl Compounds;Ketones;Aromatics;Miscellaneous Reagents;API Intermediate |
| Mol File: | 3874-54-2.mol |
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| 4-Chloro-4'-fluorobutyrophenone Chemical Properties |
| mp | 5-6 °C |
| bp | 130-132 °C (0.97513 mmHg) |
| density | 1.22 g/mL at 25 °C(lit.) |
| refractive index |
n |
| Fp | >230 °F |
| storage temp. | Refrigerator |
| Water Solubility | 0.38 g/L (20 ºC) |
| BRN | 608741 |
| CAS DataBase Reference | 3874-54-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Butanone, 4-chloro-1-(4-fluorophenyl)-(3874-54-2) |
| EPA Substance Registry System | 1-Butanone, 4-chloro-1-(4-fluorophenyl)- (3874-54-2) |
| Safety Information |
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 24/25-36-26 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| Molecular Weight | 200.637203 g/mol |
|---|---|
| Molecular Formula | C10H10ClFO |
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 200.040421 g/mol |
| Monoisotopic Mass | 200.040421 g/mol |
| Topological Polar Surface Area | 17.1 A^2 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 164 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |