4-Methyl-3-(trifluoromethyl)benzoic acid
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4-Methyl-3-(trifluoromethyl)benzoic acid
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CAS No:
261952-01-6
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Formula:
C9H7F3O2
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Chemical Name:
4-Methyl-3-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,4-methyl-3-(trifluoromethyl)-;4-Methyl-3-(trifluoromethyl)benzoic acid;3-(Trifluoromethyl)-4-methylbenzoic acid
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CAS No:
Characteristics
37.30000
2.71200
1.345±0.06 g/cm3
182-186°C
268.6±40.0 °C(Predicted)
94.7ºC
1.463
0.0573mmHg at 25°C
3.94±0.10
Safety Information
IRRITANT
36/37/38-26/27/28-36-22
26-37/39-24/25-37
Xi,T+,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 45 companies from 5 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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CN
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