UCSF

ZINC01235986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 12 Yes

Popular Name: Acenaphthene Acenaphthene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 82-86-0 , 83-32-9 , [83-32-9]

Download: MOL2 SDF SMILES Flexibase

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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) 3.27 7.87 -4.57 0 0 0 0 154.212 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 278? Alfa-Aesar
Boiling_Point 278° Alfa-Aesar
BP [°C] 279 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 94 Enamine Building Blocks
Mp [°C] 90 - 95 Acros Organics
MP 90...94 Enamine Building Blocks
Melting_Point 92-95? Alfa-Aesar
Melting_Point 92-95° Alfa-Aesar
MP 94 TCI
purity 95 Enamine Building Blocks
Purity 95.0%min; 99.0%min APIChem
Purity 99% Fluorochem
Patent Database Links EP1666970; US2005070571; WO2006046914 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H400: Very toxic to aquatic life Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
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 R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

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