UCSF

ZINC01680673

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) 1.20 2.69 -6.05 0 1 0 13 97.092 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 124-126? Alfa-Aesar
Boiling_Point 124-126° Alfa-Aesar
BP 126 TCI
BP [°C] 126 (p=753 torr) Acros Organics
BP 126°/753mm Matrix Scientific
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Warnings Flammable/Irritant Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H226: Flammable liquid and vapor Acros Organics
Warnings IRRITANT, FLAMMABLE Matrix Scientific
Notes JOC., 53, 2740 (1998): A useful precursor to a large range of 2,3-disubstituted pyridines. Fluorine is activated to nucleophilic displacement & C-3 metallation is possible. Apollo 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 R10: Flammable. Acros Organics
R phrase R10: Flammable.; 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 S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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% )

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