UCSF

ZINC02580954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: 2,4-Dichloro-5-(trifluoromethyl)pyrimidine 2,4-Dichloro-5-(trifluoromethyl)…

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CAS Numbers: 3932-97-6 , [3932-97-6]

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) 2.69 1.26 -2.77 0 2 0 26 216.977 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 126°/650mm Oakwood Chemical
BP 48-50°/32mmHg Matrix Scientific
Boiling_Point 49?/32mm Alfa-Aesar
Boiling_Point 49°/32mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
H phrase H301: Toxic if swallowed; H311: Toxic in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H331: Toxic if inhaled; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT, TOXIC Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P311: Call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P351 + P338: IF Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard T: Toxic Acros Organics
Warnings Toxic/Irritant Matrix Scientific

Activity (Go SEA)

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

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