UCSF

ZINC01081150

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 11 Yes

Popular Name: 1-(Trifluoroacetyl)imidazole 1-(Trifluoroacetyl)imidazole

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CAS Numbers: 1546-79-8 , [1546-79-8]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 3.82 -4.59 0 3 0 35 164.086 1 ↓
Mid Mid (pH 6-8) 0.80 4.31 -36.96 1 3 1 36 165.094 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 45-46?/14mm Alfa-Aesar
Boiling_Point 45-46°/14mm Alfa-Aesar
BP 83 / 110 TCI
Purity 95% Matrix Scientific
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Notes Derivatising agent. Useful for trifluoroacetylation ofalcohols and amines for electron-capture GC analysis Apollo Scientific
Warnings Flammable/Moisture Sensitive/Hygroscopic/Stored under Argon/Store in Freezer Matrix Scientific
Warnings MOISTURE SENSITIVE, HYGROSCOPIC, KEEP COLD Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.