UCSF

ZINC14628902

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 10 Yes

Popular Name: 3,3,3-Trifluoro-2,2-dimethylpropionic acid 3,3,3-Trifluoro-2,2-dimethylprop…

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CAS Numbers: 180918-40-5 , 889940-13-0 , [889940-13-0]

Download: MOL2 SDF SMILES Flexibase

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) 1.64 3.38 -41.05 0 2 -1 40 155.095 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 66-73? Alfa-Aesar
MP 66-73° Matrix Scientific
MP 68-71° Oakwood Chemical
Mp [°C] 69 - 71 Acros Organics
BP [°C] 76 - 77 (p=14 torr) Acros Organics
Boiling_Point 76-77?/14mm Alfa-Aesar
BP 76-77°/14mm Matrix Scientific
Purity 97% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Irritant Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
Warnings IRRITANT, CORROSIVE 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 R34: Causes burns. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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, s Acros Organics

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