UCSF

ZINC00580813

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 No

Popular Name: 5-(chloromethyl)-3-phenyl-1,2,4-oxadiazole 5-(chloromethyl)-3-phenyl-1,2,4-…

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CAS Numbers: , 1171499-00-5 , 1822-94-2 , [1822-94-2]

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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) 2.62 -0.23 -7.44 0 3 0 39 194.621 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 142 - 144 (p=0.8 torr) Acros Organics
Mp [°C] 42 Acros Organics
MP 45 - 47 Enamine Building Blocks
MP 45...47 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S24: Avoid contact with skin.; 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 ac Acros Organics

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