4-Amino-3-(trifluoromethoxy)benzonitrile
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4-Amino-3-(trifluoromethoxy)benzonitrile
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CAS No:
175278-23-6
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Formula:
C8H5F3N2O
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Chemical Name:
4-Amino-3-(trifluoromethoxy)benzonitrile
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Synonyms:
Benzonitrile,4-amino-3-(trifluoromethoxy)-;4-Amino-3-(trifluoromethoxy)benzonitrile;4-Amino-3-[(trifluoromethyl)oxy]benzonitrile
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CAS No:
Characteristics
59
2.14
white to light yellow crystal powder
1.4±0.1 g/cm3
72 °C
248.6±40.0 °C at 760 mmHg
104.1±27.3 °C
1.498
Safety Information
IRRITANT
3439
20/21/22-36/37/38-43
22-36/37/39-37/39-26-36/37
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:202.13
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:202.03539727
Monoisotopic Mass:202.03539727
Topological Polar Surface Area:59
Heavy Atom Count:14
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-Amino-3-(trifluoromethoxy)benzonitrile
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