UCSF

ZINC02047916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 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) 0.48 3.77 -46.4 3 1 1 28 156.636 1
Hi High (pH 8-9.5) 4.17 10.05 -15.68 1 6 0 74 393.439 6

Vendor Notes

Note Type Comments Provided By
BP 119°/20mm Matrix Scientific
MP 140-141° Matrix Scientific
BP [°C] 232 Acros Organics
Boiling_Point 232? Alfa-Aesar
Boiling_Point 232° Alfa-Aesar
BP [°C] 82.4 (p=2.8 torr) Acros Organics
Purity 95% Fluorochem
Purity 97% Matrix Scientific
melting_point BP: (0.1mm Hg) 65 KeyOrganics
Hazard C: Corrosive Acros Organics
Hazard C: Corrosive; N: Dangerous for the environment Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H411: Toxic to aquatic life with long lasting effects Acros Organics
Warnings IRRITANT 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 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 R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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.; 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 immediat Acros Organics

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