4-(TRIFLUOROACETYL)BENZOIC ACID
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4-(TRIFLUOROACETYL)BENZOIC ACID
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CAS No:
58808-59-6
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Formula:
C9H5F3O3
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Chemical Name:
4-(TRIFLUOROACETYL)BENZOIC ACID
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Synonyms:
4-(2,2,2-trifluoroacetyl)benzoic acid;
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CAS No:
4-(TRIFLUOROACETYL)BENZOIC ACID Basic Attributes
218.12900
218.01907850 g/mol
DTXSID30207540
2918300090
Characteristics
54.37000
2.12980
white powder
1.455 g/cm3
177-179ºC
313.5ºC at 760 mmHg
143.4ºC
1.494
Safety Information
R36/37/38
S26-S36
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:218.13
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:218.01907850
Monoisotopic Mass:218.01907850
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:264
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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