UCSF

ZINC04262022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 No

CAS Numbers: 32315-10-9 , [32315-10-9]

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) 3.82 0.22 -0.6 0 3 0 36 296.748 4

Vendor Notes

Note Type Comments Provided By
BP [°C] 203 - 206 Acros Organics
Boiling_Point 203-206? Alfa-Aesar
Boiling_Point 203-206° Alfa-Aesar
BP 206 TCI
Mp [°C] 77 - 81 Acros Organics
Melting_Point 77-91? Alfa-Aesar
Melting_Point 77-91° Alfa-Aesar
MP 79-83° Oakwood Chemical
MP 80 TCI
Purity >99% Fluorochem
H phrase H330: Fatal if inhaled Acros Organics
H phrase H330: Fatal if inhaled; H314: Causes severe skin burns and 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 R26: Very toxic by inhalation. Acros Organics
R phrase R26: Very toxic by inhalation.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; 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 Acros Organics
Hazard T+: Very toxic Acros Organics

Activity (Go SEA)

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

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