UCSF

ZINC03632772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 Yes

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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) 2.48 6.69 -35.26 3 2 1 37 254.353 3
Hi High (pH 8-9.5) 2.48 5.25 -4.87 2 2 0 32 253.345 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 76-78? Alfa-Aesar
Melting_Point 76-78° Alfa-Aesar
Mp [°C] 77 - 80 Acros Organics
MP 77-80° Oakwood Chemical
MP 79 TCI
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye 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; 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 S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5079359; US5212311 IBM Patent Data
Hazard XI: Irritant Acros Organics

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