UCSF

ZINC02572877

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 4-Hydroxy-3-(trifluoromethyl)benzoic acid 4-Hydroxy-3-(trifluoromethyl)ben…

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CAS Numbers: 220239-68-9 , 239-68-9 , [220239-68-9]

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) 2.66 1.07 -45.51 1 3 -1 60 205.111 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 144-147? Alfa-Aesar
Melting_Point 144-147° Alfa-Aesar
MP 148.2-150.0° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/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 rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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