UCSF

ZINC11804120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 12 Yes

Popular Name: 4,6-Dichloro-2-trifluoromethylpyrimidine 4,6-Dichloro-2-trifluoromethylpy…

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CAS Numbers: 705-24-8 , [705-24-8]

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) 2.83 1.24 -3.36 0 2 0 26 216.977 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 50-52?/5mm Alfa-Aesar
Boiling_Point 50-52°/5mm Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT, AVOID SKIN CONTACT Matrix Scientific
Warnings Irritant/Avoid Skin Contact Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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Rings

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

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