UCSF

ZINC00056413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 No

Popular Name: 2-Carboxybenzaldehyde 2-Carboxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119-67-5 , [119-67-5]

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) 1.25 3.65 -44.67 0 3 -1 57 149.125 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Mp [°C] 96 - 99 Acros Organics
Purity 97% Fluorochem
Melting_Point 97-101? Alfa-Aesar
Melting_Point 97-101° Alfa-Aesar
MP 98 TCI
MP 99 - 101 Enamine Building Blocks
MP 99...101 Enamine Building Blocks
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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
UniProt Database Links PHDJ_NOCSK; PHDK_NOCSK ChEBI
UniProt Database Links PHDK_NOCSK; PLDH_RHILO ChEBI
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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