UCSF

ZINC01700214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 No

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) 3.57 1.41 -4.87 0 1 0 17 190.629 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 156 - 158 (p=7 torr) Acros Organics
Boiling_Point 159-160?/9mm Alfa-Aesar
Boiling_Point 159-160°/9mm Alfa-Aesar
BP 306 TCI
Melting_Point 48-52? Alfa-Aesar
Melting_Point 48-52° Alfa-Aesar
Mp [°C] 49 - 54 Acros Organics
MP 52 TCI
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; EUH029: Contact with water liberates toxic gas Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R29: Contact with water liberates toxic gas. Acros Organics
R phrase R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, see Acros Organics

Activity (Go SEA)

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