Basic information
- Name:
Acetic acid,2-chloro-2,2-difluoro-, ethyl ester
- Superlist Name:
- Ethyl chlorodifluoroacetate
- CAS No.:
383-62-0
- Molecular Structure:
- Formula:
- C4H5ClF2O2
- Molecular Weight:
- 158.53
- Synonyms:
- Aceticacid, chlorodifluoro-, ethyl ester (6CI,7CI,8CI,9CI);Chlorodifluoroacetic acidethyl ester;NSC 62664;
- EINECS:
- 206-850-0
- Density:
- 1.316 g/cm3
- Boiling Point:
- 93.8 °C at 760 mmHg
- Flash Point:
- 28.9 °C
- Appearance:
- clear colorless liquid
- Hazard Symbols:
F; 
C; 
Xi- Risk Codes:
- 11-34-20/21/22
- Safety Description:
- 16-26-27-36/37/39-45 Details
- Transport Information:
- UN 2924 3/PG 2
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Chemistry
IUPAC Name: Ethyl 2-chloro-2,2-difluoroacetate
Following is the structure of Acetic acid,2-chloro-2,2-difluoro-, ethyl ester (CAS NO.383-62-0):
Molecular Formula: C4H5ClF2O2
Molecular Weight: 158.53g/mol
EINECS: 206-850-0
Flash Point: 28.9 °C
Density: 1.316 g/cm3
Index of Refraction: 1.374
Surface Tension: 24.7 dyne/cm
Enthalpy of Vaporization: 33.35 kJ/mol
Vapour Pressure: 48.8 mmHg at 25 °C
Boiling point: 93.8 °C at 760 mmHg
Molar Refractivity: 27.49 cm3
Molar Volume: 120.3 cm3
XLogP3-AA: 1.4
H-Bond Acceptor: 4
Product Categories: Pharmaceutical Intermediates; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters
Canonical SMILES: CCOC(=O)C(F)(F)Cl
InChI: InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey: GVCAWQUJCHZRCB-UHFFFAOYSA-N
Safety Profile
Safety Information of Acetic acid,2-chloro-2,2-difluoro-, ethyl ester (CAS NO.383-62-0):
Hazard Codes: F
,C
,Xi
Risk Statements: 11-34-20/21/22
R11:Highly flammable.
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 16-26-27-36/37/39-45
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
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.)
RIDADR: UN 2924 3/PG 2
WGK Germany: 3
Hazard Note: Flammable
HazardClass: 3
PackingGroup: II
Specification
Acetic acid,2-chloro-2,2-difluoro-, ethyl ester , its CAS NO. is 383-62-0, the synonyms are Ethyl chlorodifluoroethanoate ; NSC 62664 ; Acetic acid, chlorodifluoro-, ethyl ester .
