UCSF

ZINC02038000

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 No

Popular Name: 6-Bromohexanoic acid 6-Bromohexanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 4224-70-8 , [4224-70-8]

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) 1.85 5.01 -45.47 0 2 -1 40 194.048 5 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 165 - 170 (p=20 torr) Acros Organics
Boiling_Point 165-170?/20mm Alfa-Aesar
Boiling_Point 165-170°/20mm Alfa-Aesar
BP 170 / 20 TCI
Mp [°C] 32 - 35 Acros Organics
Melting_Point 32-35? Alfa-Aesar
Melting_Point 32-35° Alfa-Aesar
MP 33 - 35 Enamine Building Blocks
MP 33-35° Fluorochem
MP 33...35 Enamine Building Blocks
MP 35 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
Warnings Corrosive Matrix Scientific
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics

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