UCSF

ZINC01727211

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) 1.49 1.98 -12.61 0 4 0 56 228.269 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 45 - 48 Acros Organics
Melting_Point 46-49? Alfa-Aesar
MP 46-49° Oakwood Chemical
MP 48 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% APIChem
H phrase H351: Suspected of causing cancer Acros Organics
H phrase H351: Suspected of causing cancer; H317: May cause an allergic skin reaction; H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection; P28 Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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