UCSF

ZINC01736679

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 1,4-Diisopropylbenzene 1,4-Diisopropylbenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-18-5 , 25321-09-9 , 98-49-7 , [100-18-5]

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) 4.96 8.35 -1.42 0 0 0 0 162.276 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 17 Acros Organics
Melting_Point 17? Alfa-Aesar
Melting_Point 17° Alfa-Aesar
BP [°C] 203 Acros Organics
BP 210 TCI
Boiling_Point 210? Alfa-Aesar
Boiling_Point 210° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% APIChem
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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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