UCSF

ZINC01683524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 6 No

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) 0.75 2.29 -47.46 0 2 -1 40 85.082 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 16 Acros Organics
BP 160 TCI
BP [°C] 163 Acros Organics
Boiling_Point 163? Alfa-Aesar
Boiling_Point 163° Alfa-Aesar
Melting_Point 16? Alfa-Aesar
Melting_Point 16° Alfa-Aesar
Melting_Point 62? Alfa-Aesar
Melting_Point 62° Alfa-Aesar
Hazard C: Corrosive Acros Organics
Patent Database Links EP0861843; EP0966974; EP1016702; EP1041074; EP1081145; EP1405849; EP1502569; EP1502587; EP1516616; EP1518534; EP1541121; EP1561461; EP1563821; EP1563831; EP1564258; EP1593377; EP1627664; EP1632211; EP1634563; EP1634572; EP1634573; EP1637122; EP1639987; EP ChEBI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H311: Toxic in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P310: Immediately call a POISON CENTER or doctor/physician; P264: Wash face, hands and any exposed skin thoroughly after Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R35: Causes severe burns. 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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Analogs ( Draw Identity 99% 90% 80% 70% )

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