UCSF

ZINC00160350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 5-Chloro-3-phenyl-2,1-benzisoxazole 5-Chloro-3-phenyl-2,1-benzisoxazole

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CAS Numbers: 719-64-2 , [719-64-2]

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) 4.30 8.06 -6.5 0 2 0 26 229.666 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-117? Alfa-Aesar
Melting_Point 114-117° Alfa-Aesar
MP 115 TCI
Mp [°C] 115.3 - 116.1 Acros Organics
Purity 97% Fluorochem
biological_use Cytostatic IBScreen Bioactives
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P30 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

Activity (Go SEA)

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