4-Methoxy-3-(trifluoromethyl)benzoic acid
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4-Methoxy-3-(trifluoromethyl)benzoic acid
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CAS No:
213598-09-5
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Formula:
C9H7F3O3
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Chemical Name:
4-Methoxy-3-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,4-methoxy-3-(trifluoromethyl)-;4-Methoxy-3-(trifluoromethyl)benzoic acid;4-Methoxy-3-trifluoromethylbenzoic acid
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CAS No:
4-Methoxy-3-(trifluoromethyl)benzoic acid Basic Attributes
220.15
220.15
630-271-6
DTXSID40379505
2918990090
Characteristics
46.53000
2.41220
1.380±0.06 g/cm3
169-171°C
290.1±40.0 °C(Predicted)
81ºC
1.474
0.000972mmHg at 25°C
4.04±0.10
Safety Information
IRRITANT
36/37/38
26-36/37/39
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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:220.14
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:220.03472857
Monoisotopic Mass:220.03472857
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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