UCSF

ZINC01583743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: Hexafluorobenzene Hexafluorobenzene

Find On: PubMed — Wikipedia — Google

CAS Number: 392-56-3

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) 2.63 4.89 -0.95 0 0 0 0 186.054 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 3.7 - 4.1 Acros Organics
MP 3.7-4.1° Oakwood Chemical
Melting_Point 4-5? Alfa-Aesar
Melting_Point 4-5° Alfa-Aesar
MP 5 TCI
Boiling_Point 80-81? Alfa-Aesar
Boiling_Point 80-81° Alfa-Aesar
BP 80.5° Oakwood Chemical
BP 81 TCI
BP [°C] 81 - 82 (p=743 torr) Acros Organics
Purity 97% Fluorochem
Purity 98% Fluorochem
Purity 98+% Fluorochem
Patent Database Links EP0834513; WO2008108630 ChEBI
Hazard F: Highly flammable Acros Organics
Notes For reactions eg. Grignards: J.Organomet.Chem., 19,191 (1969) Apollo Scientific
H phrase H225: Highly flammable liquid and vapor Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
Notes Org.Synth.Coll., 6, 873 (1998) Apollo Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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

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