UCSF

ZINC02003941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 8 No

Popular Name: Methyl chlorodifluoroacetate Methyl chlorodifluoroacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1514-87-0 , [1514-87-0]

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) 1.41 3.05 -2.48 0 2 0 26 144.504 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 78 - 81 Enamine Building Blocks
MP 78...81 Enamine Building Blocks
BP [°C] 79 - 81 Acros Organics
Boiling_Point 79-81? Alfa-Aesar
Boiling_Point 79-81° Alfa-Aesar
BP 82 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 99% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
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; H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor Acros Organics
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 R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R34: Causes burns.; R36/37: Irritating to eyes and respiratory system. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 accid Acros Organics
Notes Useful trifluoromethylating agent. Trifluoromethylation ofaryl and vinyl halides: Tetrahedron Letts.,32, 7689 (1991). Nitroaryl chlorides can also be trifluoromethylated. Apollo Scientific

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

No pre-computed analogs available. Try a structural similarity search.