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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22309176Generated: October 23, 2026

2-{[(Tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)phenyl]acetic acid

tert-Butoxycarbonylamino-(3-trif · Boc-2-(3-(TrifluoroMethyl)-phenyl)glycine · 2-(tert-Butoxycarbonylamino)-2-(3-(trifluoromethyl)phenyl)acetic acid · Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)- · 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid · 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[3-(trifluoromethyl)phenyl]acetic acid

https://huagongshe.com/en/chemical/22309176

2-{[(Tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)phenyl]acetic acid molecular structure

Identifiers & Physical Properties

CAS No.146621-92-3
Molecular formulaC14H16F3NO4
Average molar mass319.28 g/mol
Monoisotopic mass319.10314265 g/mol
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1cccc(C(F)(F)F)c1
InChIKeyNVMKZXKHKQKKFE-UHFFFAOYSA-N
PubChem CID22309176
EC No.675-730-1
DTXSIDDTXSID00624568

Chemical & Physical Properties

XLogP3.1
Topological polar surface area75.6
Hydrogen bond donors2
Hydrogen bond acceptors7
Rotatable bonds5
Heavy atoms22
Formal charge0
Complexity417
Boiling point398.5±42.0 °C(Predicted)
Density1.297±0.06 g/cm3(Predicted)
Storage conditions2-8°C
pKa (acidity coefficient)3.36±0.10(Predicted)
Appearancewhite solid
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH335-H315-H319
GHS precautionary statementsP264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & Regulations

GHS classificationWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH335-H315-H319
GHS precautionary statementsP264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362