UCSF

ZINC01627117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: Pentafluorobenzoyl chloride Pentafluorobenzoyl chloride

Find On: PubMed — Wikipedia — Google

CAS Number: 2251-50-5

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) 2.92 4.83 -1.82 0 1 0 17 230.519 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 158-159? Alfa-Aesar
BP 158-159° Matrix Scientific
BP 159 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/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; EUH014: Reacts violently with water 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; 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, Acros Organics
R phrase R14: Reacts violently with water.; R34: Causes burns. Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US3879543 ChEBI
Notes Useful reagent for the derivatisation of primary amines, etc for GC analysis. Apollo Scientific

Activity (Go SEA)

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