UCSF

ZINC02382083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 No

Popular Name: 5-Chloro-2-fluorobenzoyl chloride 5-Chloro-2-fluorobenzoyl chloride

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CAS Number: 394-29-6

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) 3.16 1.81 -5.09 0 1 0 17 193.004 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 103 - 104 (p=15 torr) Acros Organics
Boiling_Point 103-104?/15mm Alfa-Aesar
Boiling_Point 103-104°/15mm Alfa-Aesar
Purity 95% Fluorochem
Purity 98% 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; EUH014: Reacts violently with water; EUH029: Contact with water liberates toxic gas Acros Organics
Warnings IRRITANT, CORROSIVE Matrix Scientific
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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash wi Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R34: Causes burns.; R14: Reacts violently with water.; R29: Contact with water liberates toxic gas. Acros Organics

Activity (Go SEA)

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

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