ChemSpider 2D Image | Chloroacetic anhydride | C4H4Cl2O3

Chloroacetic anhydride

  • Molecular FormulaC4H4Cl2O3
  • Average mass170.979 Da
  • Monoisotopic mass169.953751 Da
  • ChemSpider ID21112535

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

208-794-2 [EINECS]
541-88-8 [RN]
Anhydride chloroacétique [French] [ACD/IUPAC Name]
Chloressigsäureanhydrid [German] [ACD/IUPAC Name]
Chloroacetic anhydride [ACD/IUPAC Name]
MFCD00000929 [MDL number]
Monochloroacetic acid anhydride
(2-chloroacetyl) 2-chloroacetate
[541-88-8] [RN]
1,5-Dichloro-2,4-dioxo-3-oxapentane
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8Q7TXH7R5F [DBID]
215163_ALDRICH [DBID]
94060_ALDRICH [DBID]
AI3-52321 [DBID]
HSDB 5685 [DBID]
NCIOpen2_000530 [DBID]
NSC 71207 [DBID]
NSC71207 [DBID]
UNII:8Q7TXH7R5F [DBID]
UNII-8Q7TXH7R5F [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      56-59 °C Alfa Aesar
      46 °C Jean-Claude Bradley Open Melting Point Dataset 26908
      58 °C Jean-Claude Bradley Open Melting Point Dataset 6619
      56-59 °C Alfa Aesar A14015
      48-60 °C Oakwood
      48-60 °C Sigma-Aldrich ALDRICH-215163
      48-60 °C Oakwood 098900

    • Experimental Boiling Point:

      110-112 deg C / 10 mm (265.2312-267.9675 °C / 760 mmHg) Alfa Aesar
      110-112 °C / 10 mm (265.2312-267.9675 °C / 760 mmHg) Alfa Aesar A14015
      120-123 °C / 20 mm (254.0527-257.9817 °C / 760 mmHg) Oakwood
      120-123 °C / 20 mmHg (254.0527-257.9817 °C / 760 mmHg) Sigma-Aldrich ALDRICH-215163
      120-123 °C / 20 mm (254.0527-257.9817 °C / 760 mmHg) Oakwood 098900

    • Experimental Flash Point:

      143 °C Alfa Aesar
      143 °C Alfa Aesar
      143 °F (61.6667 °C) Alfa Aesar A14015
      143 °C Oakwood
      143 °C Sigma-Aldrich ALDRICH-215163
      143 °C Oakwood 098900

    • Experimental Solubility:

      Freely soluble in ether, chloroform. Slightly soluble in benzene. Insoluble in cold ligroin Alfa Aesar A14015
  • Miscellaneous

    • Safety:

      25-34 Alfa Aesar A14015
      4-9-20-26-27-36/37/39-45-60 Alfa Aesar A14015
      8 Alfa Aesar A14015
      Danger Alfa Aesar A14015
      DANGER: CORROSIVE, POISON, burns skin and eyes Alfa Aesar A14015
      DANGER: CORROSIVE, POISON, irritates skin and eyes Alfa Aesar A14015
      H301-H314 Alfa Aesar A14015
      P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A14015
  • Gas Chromatography

    • Retention Index (Kovats):

      1173 (estimated with error: 89) NIST Spectra mainlib_72976

    • Retention Index (Normal Alkane):

      1116 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 541888; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Amines, Amino Acids, Amides and Imides for GC Analysis, Marcel Dekker, Inc, New York - Basel, 2001, 224.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 203.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.9±3.0 kJ/mol
Flash Point: 82.8±19.4 °C
Index of Refraction: 1.456
Molar Refractivity: 32.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.42
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.42
Polar Surface Area: 43 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 117.9±3.0 cm3

Click to predict properties on the Chemicalize site


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