UCSF

ZINC02389378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

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) 2.29 1.09 -5.48 0 3 0 30 185.267 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 130-140?/15mm Alfa-Aesar
BP 130-140°/15mm Matrix Scientific
BP [°C] 58 (p=0.23 torr) Acros Organics
BP 60-65°/1mm Oakwood Chemical
Purity 98% Fluorochem
Purity 99% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
Warnings IRRITANT, KEEP COLD Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific
melting_point Oil KeyOrganics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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