UCSF

ZINC08585868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 10 Yes

Popular Name: CIS-DECAHYDRONAPHTHALENE CIS-DECAHYDRONAPHTHALENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119-64-2 , 28788-42-3 , 493-01-6 , 493-02-7 , 80997-90-6 , 91-17-8 , 91-20-3 , [493-01-6] , [91-17-8]

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) 3.88 7.18 0.06 0 0 0 0 138.254 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 31 Acros Organics
BP 185 TCI
BP [°C] 187 Acros Organics
Boiling_Point 189-191? Alfa-Aesar
Boiling_Point 189-191° Alfa-Aesar
BP 190 TCI
BP 193 TCI
BP [°C] 70 - 71 (p=12.75 torr) Acros Organics
Boiling_Point 70-71?/17mm Alfa-Aesar
Boiling_Point 70-71°/17mm Alfa-Aesar
Purity 95% Fluorochem
Melting_Point <-45? Alfa-Aesar
Melting_Point <-45° Alfa-Aesar
Hazard C: Corrosive; N: Dangerous for the environment Acros Organics
Patent Database Links EP0982300; EP0990634; EP1420020; EP1707203; EP1707204; EP1818336; US2003228573; US2005107454; US2005154199; US2005261334; US2006025415; US2006128680; US2006189597; US2008221215; US2008287490; WO2005013914; WO2005019179; WO2005030711; WO2006075244; WO20061 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H226: Flammable liquid and vapor Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H331: Toxic if inhaled; H304: May be fatal if swallowed and enters airways; H411: Toxic to aquatic life with long lasting effects; H226: Flammable liquid and vapor Acros Organics
H phrase H319: Causes serious eye irritation 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
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; 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/p Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
R phrase R20: Harmful by inhalation.; R34: Causes burns.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause lung damage if swallowed. Acros Organics
R phrase R20: Harmful by inhalation.; 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. 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
PUBCHEM_PATENT_ID US5059696 IBM Patent Data
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.