UCSF

ZINC84843279

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 0 Yes

CAS Numbers: 1072-62-4 , [1072-62-4]

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

Vendor Notes

Note Type Comments Provided By
BP [°C] 268 Acros Organics
Boiling_Point 268? Alfa-Aesar
Boiling_Point 268° Alfa-Aesar
Melting_Point 78-86? Alfa-Aesar
Melting_Point 78-86° Alfa-Aesar
MP 78° Fluorochem
Mp [°C] 83 - 87 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H315: Causes skin irritation; H302: Harmful if swallowed Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/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 rinsing; P310: Immediately call a Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R38: Irritating to skin.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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