Chlorofluoroacetic acid
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Chlorofluoroacetic acid
structure -
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CAS No:
471-44-3
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Formula:
C2H2ClFO2
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Chemical Name:
Chlorofluoroacetic acid
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Synonyms:
Acetic acid,2-chloro-2-fluoro-;Acetic acid,chlorofluoro-;2-Chloro-2-fluoroacetic acid;Chlorofluoroacetic acid;NSC 95117;25197-74-4
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CAS No:
Characteristics
37.30000
0.60540
1.532 g/cm3 @ Temp: 25 °C
150-153 °C
162 °C
58.6ºC
1.4085
1.14mmHg at 25°C
Safety Information
UN 3265
20/21/22-35
26-36/37/39-45
C: Corrosive;Xi: Irritant;
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Drug Information
Chlorofluoroacetic acid has known human metabolites that include chloroacetyl-S-glutathione.
chlorofluoroacetic acid
Computed Properties
Molecular Weight:112.49
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:111.9727352
Monoisotopic Mass:111.9727352
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:64.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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