UCSF

ZINC02022414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: 2,3,4,5,6-Pentafluoroaniline 2,3,4,5,6-Pentafluoroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 771-60-8 , 912823-79-1 , [771-60-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.95 2.73 -2.75 2 1 0 26 183.079 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 153 Acros Organics
BP 153° Matrix Scientific
Boiling_Point 156-157? Alfa-Aesar
Boiling_Point 156-157° Alfa-Aesar
Mp [°C] 33 - 38 Acros Organics
MP 34 - 36 Enamine Building Blocks
Melting_Point 34-37? Alfa-Aesar
Melting_Point 34-37° Alfa-Aesar
MP 34...36 Enamine Building Blocks
MP 35-36° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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