4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
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4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
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CAS No:
85559-46-2
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Formula:
C9H5F3N2O2
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Chemical Name:
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
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Synonyms:
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID;P-(3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL)BENZOIC ACID;4-(3-trifluoromethyldiazirino)benzoic acid;p-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic ac;3-(4-Carboxyphenyl)-3-trifluoromethyldiazirine;4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid;p-(3-(TrifluoroMethyl)-3H-diazirin-3-yl)benzoic acid, 4-(3-TrifluoroMethyldiazirino)benzoic acid, TDBA;Benzoic acid, 4-[3-(trifluoroMethyl)-3H-diazirin-3-yl]-
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CAS No:
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID Basic Attributes
230.14
230.030319
ES9VAY6FMP
DTXSID00234747
2933990090
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, 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.
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID Use and Manufacturing
A highly photolabile label fixable to biochemical agents.
Computed Properties
Molecular Weight:230.14
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:230.03031189
Monoisotopic Mass:230.03031189
Topological Polar Surface Area:62
Heavy Atom Count:16
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
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