UCSF

ZINC00096540

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) 2.67 -0.18 -4.28 0 1 0 17 205.076 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 103 (p=4 torr) Acros Organics
BP 103 / 4 TCI
Boiling_Point 103?/4mm Alfa-Aesar
Boiling_Point 103°/4mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
Mp [°C] 93 - 96 Acros Organics
Melting_Point 93-96? Alfa-Aesar
Melting_Point 93-96° Alfa-Aesar
MP 94 - 96 Enamine Building Blocks
MP 94-95° Matrix Scientific
MP 94-96° Fluorochem
MP 94...96 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 98.0%min APIChem
Purity 99% Matrix Scientific
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H312: Harmful in contact with skin; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT, LIGHT SENSITIVE Matrix Scientific
Warnings Irritant/Light Sensitive Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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% )