UCSF

ZINC00895809

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 10 No

Popular Name: 2,5-Dihydroxybenzaldehyde 2,5-Dihydroxybenzaldehyde

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CAS Numbers: 1194-98-5 , [1194-98-5]

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) 1.17 -1.41 -8.8 2 3 0 58 138.122 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 102 TCI
Melting_Point 97-101? Alfa-Aesar
Melting_Point 97-101° Alfa-Aesar
Mp [°C] 98 - 102 Acros Organics
Purity 98% Fluorochem
Purity 99% APIChem
Patent Database Links EP1422218 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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