UCSF

ZINC02584286

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 2-Chloro-4-(trifluoromethyl)pyridine 2-Chloro-4-(trifluoromethyl)pyri…

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CAS Numbers: 81565-18-6 , [81565-18-6]

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) 2.56 2.3 -3.8 0 1 0 13 181.544 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 19 - -18 Enamine Building Blocks
MP 19...-18 Enamine Building Blocks
Boiling_Point 145? Alfa-Aesar
Boiling_Point 145° Alfa-Aesar
bp 146 - 147 MolMall (formerly Molecular Diversity Preservation International)
BP 48-50°/15mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
H phrase H226: Flammable liquid and vapor; H302: Harmful if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT-HARMFUL, TOXIC Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin Acros Organics
R phrase R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Warnings Toxic/Irritant-Harmful Matrix Scientific
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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