3-Nitro-4-(trifluoromethyl)benzoic acid
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3-Nitro-4-(trifluoromethyl)benzoic acid
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CAS No:
116965-16-3
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Formula:
C8H4F3NO4
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Chemical Name:
3-Nitro-4-(trifluoromethyl)benzoic acid
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Synonyms:
3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID;
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CAS No:
3-Nitro-4-(trifluoromethyl)benzoic acid Basic Attributes
235.11700
235.00924210
DTXSID70381232
2916399090
Characteristics
83.12000
2.83500
white to light yellow crystal powder
1.596g/cm3
169ºC
330ºC
153.4ºC
1.432
104mmHg at 25°C
Safety Information
R36/37/38
S26; S36/37/39
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:235.12
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:235.00924210
Monoisotopic Mass:235.00924210
Topological Polar Surface Area:83.1
Heavy Atom Count:16
Complexity:299
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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