4,4,4-Trichlorobutanoic acid
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4,4,4-Trichlorobutanoic acid
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CAS No:
2345-32-6
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Formula:
C4H5Cl3O2
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Chemical Name:
4,4,4-Trichlorobutanoic acid
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Synonyms:
Butanoic acid,4,4,4-trichloro-;Butyric acid,4,4,4-trichloro-;4,4,4-Trichlorobutanoic acid
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CAS No:
Characteristics
37.30000
2.22140
1.551g/cm3
51-52 °C
274.8ºC at 760mmHg
120ºC
1.505
0.00145mmHg at 25°C
Safety Information
II
UN 3261
R20/21/22;R34
S26-S36/37/39-S45
C:Corrosive;
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:191.44
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:189.935512
Monoisotopic Mass:189.935512
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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