UCSF

ZINC02600093

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 No

Popular Name: 4-Fluoro-2-(trifluoromethyl)benzyl bromide 4-Fluoro-2-(trifluoromethyl)benz…

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CAS Numbers: 206860-48-2 , [206860-48-2]

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) 3.63 6.7 -3.76 0 0 0 0 257.024 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 141 Acros Organics
Boiling_Point 141? Alfa-Aesar
BP 141° Matrix Scientific
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Lachrymator Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CEN Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if Acros Organics

Activity (Go SEA)

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

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