1.Introduction of Isopropyl chloroacetate

The Isopropyl chloroacetate, with its CAS NO 105-48-6, is a kind of clear colorless liquid. It has synonyms of chloroacetic acid isopropyl ester ; EINECS 203-301-7 ; Isopropyl chloroacetate ; NSC 27789  ; Acetic acid, chloro-, 1-methylethyl ester ; Chloroacetic acid isopropyl ester and Isopropyl chloroacetate. Isopropyl chloroacetate should be stored in shady and cool warehouse and mainly used for intermediates of naproxen and ibuprofen.

2.Properties of Isopropyl chloroacetate

(1) Molecular Weight: 136.58g/mol (2) Mol File: 105-48-6.mol  (3) EINECS: 203-301-7
(4) Boiling point: 149 °C at 760 mmHg (5) Flash Point: 49.5 °C (6) Density: 1.081 g/cm3
(7) Refractive index: n20/D 1.419(lit.) (8) Surface Tension: 28.4 dyne/cm (9) Enthalpy of Vaporization: 38.59 kJ/mol
(10) Vapour Pressure: 4.11 mmHg at 25°C (11) XLogP3-AA: 1.5 (12) H-Bond Donor: 0 (13) H-Bond Acceptor: 2
 

3.Structure descriptors of Isopropyl chloroacetate

IUPAC Name: propan-2-yl 2-chloroacetate
Canonical SMILES: CC(C)OC(=O)CCl
InChI: InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKey: VODRWDBLLGYRJT-UHFFFAOYSA-N

4.Safety information of Isopropyl chloroacetate

Hazard Codes: T
Risk Statements: 10-25-36/37/38
10: Flammable
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-37/39-45
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 2947 3/PG 3
WGK Germany: 1
HazardClass: 3
PackingGroup: III