UCSF

ZINC02040256

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 No

Popular Name: 4-Methylbenzoyl chloride 4-Methylbenzoyl chloride

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CAS Numbers: 103877-56-1 , 874-60-2 , [874-60-2]

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) 2.84 1.61 -4.1 0 1 0 17 154.596 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 2 Acros Organics
Melting_Point 2? Alfa-Aesar
Melting_Point 2° Alfa-Aesar
BP 216 TCI
BP [°C] 225 - 227 Acros Organics
Boiling_Point 225-227? Alfa-Aesar
Boiling_Point 225-227° Alfa-Aesar
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage 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 R34: Causes burns. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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