UCSF

ZINC34779360

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 13 No

Popular Name: 3-Hydroxy-4-nitrobenzoic acid 3-Hydroxy-4-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 619-14-7 , [619-14-7]

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) 1.52 3.83 -39.11 1 6 -1 106 182.111 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 229 - 231 Enamine Building Blocks
MP 229...231 Enamine Building Blocks
Melting_Point 232-236? Alfa-Aesar
Melting_Point 232-236° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Mp [°C] >228 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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