UCSF

ZINC00396116

Annotations

Vendors

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) 1.52 3.62 -9.95 1 4 0 63 242.028 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 285 - 287 Acros Organics
MP 285-290° Fluorochem
MP 285-290° (dec.) Oakwood Chemical
MP 285-290°(dec) Matrix Scientific
melting_point 294 - 297 KeyOrganics
MP 298 - 300 Enamine Building Blocks
MP 298...300 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Matrix Scientific
purity 95 Enamine Building Blocks
Purity 98% APIChem
PUBCHEM_PATENT_ID EP0027214A1; EP0059386A2; EP0234219A2; EP0293500A1; EP0892797A1; EP1027042A1; US4316839; US4346031; US4346032; US4346033; US4346034; US4346035; US4346036; US4352815; US4359420; US4363762; US4386028; US4405516; US4611064; US4710502; US4728673; US4753944; U IBM Patent Data
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful 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% )