UCSF

ZINC00404753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 4-Bromobenzyl alcohol 4-Bromobenzyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 873-75-6 , [873-75-6]

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) 2.08 -2.12 -4.16 1 1 0 20 187.036 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P 110-112 Indofine
ALOGPS_SOLUBILITY 3.01e+00 g/l DrugBank-experimental
MP 74-76° Fluorochem
Mp [°C] 75 - 78 Acros Organics
M.P 75-77 °C Indofine
Melting_Point 76-79? Alfa-Aesar
Melting_Point 76-79° Alfa-Aesar
MP 78 TCI
Purity 97% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P304 + P340: IF INHALED: Remove to fresh air Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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