UCSF

ZINC00409200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 10 Yes

Popular Name: 2,4-Difluorobenzylamine 2,4-Difluorobenzylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 72235-52-0 , [72235-52-0]

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) 1.38 2.65 -45.6 3 1 1 28 144.144 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 55-57?/8mm Alfa-Aesar
BP 55-57° Oakwood Chemical
Boiling_Point 55-57°/8mm Alfa-Aesar
BP [°C] 82 - 84 (p=15 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 99% Fluorochem
Hazard C: Corrosive Acros Organics
Warnings CORROSIVE Matrix Scientific
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
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 eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
S phrase S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics

Activity (Go SEA)

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

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