UCSF

ZINC00166037

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 4-(TRIFLUOROMETHYL)BENZYL CHLORIDE 4-(TRIFLUOROMETHYL)BENZYL CHLORIDE

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CAS Numbers: 939-99-1 , [939-99-1]

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) 3.41 6.78 -3.63 0 0 0 0 194.583 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 19 TCI
Boiling Point 68 SynQuest Building Blocks
BP [°C] 68 (p=12 torr) Acros Organics
BP 68 / 12 TCI
Boiling_Point 68?/12mm Alfa-Aesar
BP 68°/12mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

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

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