UCSF

ZINC02572147

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL BROMIDE 2-FLUORO-6-(TRIFLUOROMETHYL)BENZ…

Find On: PubMed — Wikipedia — Google

CAS Number: 239087-08-2

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) 3.61 6.67 -3.96 0 0 0 0 257.024 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 38-40° Matrix Scientific
MP 38-42° Oakwood Chemical
Mp [°C] 42 - 44 Acros Organics
Melting_Point 43-45? Alfa-Aesar
Melting_Point 43-45° Alfa-Aesar
MP 44 TCI
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Refrigerate/Lachrymator Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; EUH029: Contact with water liberates toxic gas Acros Organics
Warnings LACHRYMATOR, CORROSIVE 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

Activity (Go SEA)

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

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