UCSF

ZINC08739076

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 12 Yes

Popular Name: Isatoic anhydride Isatoic anhydride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 118-48-9 , [118-48-9]

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) 0.73 2.98 -10.85 1 4 0 63 163.132 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 233 Acros Organics
MP 233 - 235 Enamine Building Blocks
MP 233...235 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 237? dec. Alfa-Aesar
Melting_Point ca 237° dec. Alfa-Aesar
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H317: May cause an allergic skin reaction Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P280: Wear protective gloves/protective cl Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
R phrase R36: Irritating to eyes.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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