UCSF

ZINC00007993

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 7 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) 1.26 3.16 -46.33 0 2 -1 40 101.125 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 163 - 164 Acros Organics
BP 163-164° Oakwood Chemical
Boiling_Point 163-165? Alfa-Aesar
Boiling_Point 163-165° Alfa-Aesar
Melting_Point 230-232? Alfa-Aesar
Melting_Point 31-35? Alfa-Aesar
Melting_Point 31-35° Alfa-Aesar
MP 32-35° Oakwood Chemical
Mp [°C] 33 - 35 Acros Organics
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
Melting_Point ca 200? Alfa-Aesar
Patent Database Links EP1092712; EP1132381; EP1471065; EP1623712; EP1862461; US2003027846; US2003166721; US2004014703; US2004014940; US2005004175; US2005026907; US2005249784; US2007054954; US2007129561; US2007190003; US2007218091; US2007270394; US2008071072; US2008214637; US20 ChEBI
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302: IF ON SKIN; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable f 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.; R34: Causes burns. 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
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
Hazard XI: Irritant Acros Organics

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