UCSF

ZINC03861288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: Trichloroisocyanuric acid Trichloroisocyanuric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 58880-19-6 , 87-90-1 , [58880-19-6]

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) 0.18 3.38 -2.48 0 6 0 66 232.41 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 245 - 251 Acros Organics
MP 249 - 251 Enamine Building Blocks
MP 249...251 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 98+% Fluorochem
Therapy anti-infective SMDC Pharmakon
Melting_Point ca 245? dec. Alfa-Aesar
Melting_Point ca 245° dec. Alfa-Aesar
Patent Database Links EP0879819; EP0952143; EP1059293; EP1669353; EP1864987; EP1897873; US2005043309; US2005075370; US2007202177; WO2005040149; WO2005079337 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H410: Very toxic to aquatic life with long lasting effects; H272: May intensify fire; oxidizer; EUH031: Contact with acids liberates toxic gas Acros Organics
Hazard O: Oxidizing Acros Organics
Hazard O: Oxidizing; XN: Harmful; N: Dangerous for the environment Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P233: Keep container tightly closed; P301+ P312: IF SWALLOWED: Call a POISON CENTER or Acros Organics
R phrase R8: Contact with combustible material may cause fire. Acros Organics
R phrase R8: Contact with combustible material may cause fire.; R22: Harmful if swallowed.; R31: Contact with acids liberates toxic gas.; R36/37: Irritating to eyes and respiratory system.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effec Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S41: In case of fire and/or explosion do not breathe fumes.; S60: This material and its container must be disposed of as hazardous Acros Organics

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

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