UCSF

ZINC00164410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 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) 1.97 1.77 -4.39 1 1 0 20 130.093 0

Vendor Notes

Note Type Comments Provided By
MP 187 - 189 Enamine Building Blocks
Melting_Point 21-24? Alfa-Aesar
Melting_Point 21-24° Alfa-Aesar
Mp [°C] 22 Acros Organics
MP 22 - 24 Enamine Building Blocks
MP 22...24 Enamine Building Blocks
MP 22.4° Matrix Scientific
BP [°C] 52 - 53 (p=19 torr) Acros Organics
BP 52 / 18.8 TCI
BP 52-53°/19mm Matrix Scientific
Boiling_Point 52-54?/14mm Alfa-Aesar
Boiling_Point 52-54°/14mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Matrix Scientific
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
Warnings FLAMMABLE, CORROSIVE Matrix Scientific
Warnings Flammable/Corrosive Matrix Scientific
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H228: Flammable solid Acros Organics
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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. 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.; S45: In case of accid Acros Organics
PUBCHEM_PATENT_ID WO2000064873A1 IBM Patent Data

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