UCSF

ZINC00155197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 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) 2.44 3.05 -7.94 0 1 0 24 155.559 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 104 (p=11 torr) Acros Organics
Boiling_Point 104-105?/11mm Alfa-Aesar
Boiling_Point 104-105°/11mm Alfa-Aesar
Mp [°C] 55 - 59 Acros Organics
MP 56 - 59 Enamine Building Blocks
MP 56-59° Matrix Scientific
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar
MP 56...59 Enamine Building Blocks
MP 57 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Matrix Scientific
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT 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 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
_Notes Treatment with nucleophiles e.g alkoxides can selectively displace the fluorine atom: Synth. Commun., 621 (1984) Apollo Scientific
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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