UCSF

ZINC00391877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

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) 2.16 5.43 -47.64 0 2 -1 40 149.169 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 5? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 115 (p=1 torr) Acros Organics
BP [°C] 260 - 262 Acros Organics
BP 260-262° Oakwood Chemical
Boiling_Point 264-266? Alfa-Aesar
Boiling_Point 264-266° Alfa-Aesar
BP 267 TCI
MP 29 - 30 Enamine Building Blocks
Mp [°C] 29 - 32 Acros Organics
MP 29...30 Enamine Building Blocks
Melting_Point 30-34? Alfa-Aesar
Melting_Point 30-34° Alfa-Aesar
Melting_Point 32-34? Alfa-Aesar
Melting_Point 32-34° Alfa-Aesar
Mp [°C] 5 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% APIChem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Stench 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Patent Database Links US2005249784; US2005277685; US2008293646 ChEBI
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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