UCSF

ZINC02584330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 3,4,5-Trifluorophenol 3,4,5-Trifluorophenol

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CAS Numbers: 99627-05-1 , [99627-05-1]

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) 1.81 1.82 -5.33 1 1 0 20 148.083 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 177? Alfa-Aesar
Boiling_Point 177° Alfa-Aesar
BP 188° Oakwood Chemical
MP 29° Matrix Scientific
Mp [°C] 50 - 51 Acros Organics
MP 52-55° Matrix Scientific
Melting_Point 52-56? Alfa-Aesar
Melting_Point 52-56° Alfa-Aesar
MP 57 TCI
Purity 97% Matrix Scientific
Purity 98% APIChem
Hazard C: Corrosive Acros Organics
Warnings Corrosive Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cauti Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R34: Causes burns.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics

Activity (Go SEA)

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

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