UCSF

ZINC01648205

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 No

Popular Name: 3,5-Dinitrobenzoic acid 3,5-Dinitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16345-42-9 , 99-34-3 , N/A , [99-34-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.69 5.45 -36.48 0 8 -1 132 211.109 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 204-206° Oakwood Chemical
Melting_Point 204-208? Alfa-Aesar
Melting_Point 204-208° Alfa-Aesar
MP 205 - 207 Enamine Building Blocks
MP 205...207 Enamine Building Blocks
MP 207 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% APIChem
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H228: Flammable solid Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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

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