UCSF

ZINC02522848

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: Methyl 4-chlorocarbonylbenzoate Methyl 4-chlorocarbonylbenzoate

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CAS Numbers: 7377-26-6 , [7377-26-6]

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) 2.56 2.42 -6.15 0 3 0 43 198.605 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 140 / 15 TCI
Mp [°C] 50 - 59 Acros Organics
Melting_Point 52-56? Alfa-Aesar
MP 52-56° Oakwood Chemical
MP 54 TCI
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; EUH029: Contact with water liberates toxic gas 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics

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