UCSF

ZINC02506707

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 2-(trifluoromethyl)pyrrolidine 2-(trifluoromethyl)pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1073556-31-6 , 109074-67- , 109074-67-1 , 119580-41-5 , 119618-29-0 , 1389310-06-8 , 868623-97- , 868623-97-6

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) 1.41 2.79 -37.17 2 1 1 17 140.128 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 110-111° Matrix Scientific
Boiling_Point 110-112? Alfa-Aesar
Boiling_Point 110-112° Alfa-Aesar
Melting_Point 27-31? Alfa-Aesar
MP 27-31° Matrix Scientific
MP 29-33° Oakwood Chemical
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings Corrosive/Store in Freezer Matrix Scientific
Warnings Flammable/Store in Freezer Matrix Scientific
H phrase H226: Flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings KEEP COLD, CORROSIVE Matrix Scientific
Warnings KEEP COLD, FLAMMABLE Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower; P304 + P340: IF INHALED: Remove to Acros Organics
R phrase R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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