UCSF

ZINC02245235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2004 7 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) 1.44 1.81 -4.59 0 2 0 26 205.986 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 109 - 110 (p=34 torr) Acros Organics
Boiling_Point 109-110?/34mm Alfa-Aesar
Boiling_Point 109-110°/34mm Alfa-Aesar
BP 65°/0.4 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% APIChem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings Irritant Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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