2-Methyl-5-(trifluoromethyl)benzoic acid
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2-Methyl-5-(trifluoromethyl)benzoic acid
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CAS No:
13055-63-5
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Formula:
C9H7F3O2
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Chemical Name:
2-Methyl-5-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2-methyl-5-(trifluoromethyl)-;2-Methyl-5-(trifluoromethyl)benzoic acid;2-Methyl-5-trifluoromethylbenzoic acid;5-Trifluoromethyl-2-methylbenzoic acid
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CAS No:
Characteristics
37.30000
2.71200
white to light yellow crystal powder
1.345g/cm3
123.0-124.5 °C
261ºC at 760mmHg
111.7ºC
1.478
0.006mmHg at 25°C
Safety Information
22-36-51-36/37/38
26-37
Xi,Xn
|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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:204.15
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:204.03981395
Monoisotopic Mass:204.03981395
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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