UCSF

ZINC02510171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 No

Popular Name: 2-Chloro-4-hydroxybenzaldehyde 2-Chloro-4-hydroxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2420-16-8 , 54439-75-7 , 56962-11-9 , [56962-11-9]

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) 1.85 1.83 -5.39 1 2 0 37 156.568 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 145 - 147 Acros Organics
Melting_Point 145-147? Alfa-Aesar
MP 145-147° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Air Sensitive Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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