107-59-5
tert-Butyl chloroacetate
CAS: 107-59-5
Molecular Formula: C6H11ClO2
107-59-5 - Names and Identifiers
| Name | tert-Butyl chloroacetate |
| Synonyms | NSC 87891 ClCH2C(O)OC(CH3)3 tert-Butyl chloroace tert-Butyl chloroacetate Tert Butyl Chloro acetic acid Acetic acid, chloro-, tert-butyl ester aceticacid,chloro-,1,1-dimethylethylester |
| CAS | 107-59-5 |
| EINECS | 203-506-1 |
| InChI | InChI=1/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3 |
107-59-5 - Physico-chemical Properties
| Molecular Formula | C6H11ClO2 |
| Molar Mass | 150.6 |
| Density | 1.053 g/mL at 25 °C (lit.) |
| Boling Point | 48-49 °C/11 mmHg (lit.) |
| Flash Point | 116°F |
| Vapor Presure | 2.75mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.053 |
| Color | Clear colorless to yellow |
| Merck | 14,1563 |
| BRN | 1753006 |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.423(lit.) |
| Physical and Chemical Properties | Colorless liquid. Boiling point 155 ℃ (decomposition),48-49 ℃(1.46kPa), relative density 1.081(15 ℃), refractive index 1.4259-1.4260(20 ℃). Tert-butyl alcohol and chloroacetic acid were formed after hydrolysis. |
| Use | Used as pharmaceutical, pesticide, dye intermediates |
107-59-5 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. R10 - Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. S16 - Keep away from sources of ignition. S7/9 - |
| UN IDs | UN 2920 8/PG 2 |
| WGK Germany | 3 |
| RTECS | AF8985500 |
| FLUKA BRAND F CODES | 19-21 |
| TSCA | Yes |
| HS Code | 29154000 |
| Hazard Class | 3 |
| Packing Group | III |
107-59-5 - Reference Information
| LogP | 2.07 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | used as intermediate of medicine, pesticide and dye used in condensation of glycidyl Ester, medicine, pesticide, dye Intermediates. |
| production method | tert-butyl alcohol was added to a mixture of Chloroacetyl Chloride and N,N-dimethylaniline, maintaining the temperature below 30 °c. The reaction mixture was poured into water, washed and dried, and then subjected to fractional distillation under reduced pressure. Fractions of 48-49 ° C. (1.46kPa) were collected to obtain tert-butyl chloroacetate in a yield of 63%. |
Last Update：2024-04-09 21:11:58
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