UCSF

ZINC02015931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 7 No

Popular Name: Isovaleryl chloride Isovaleryl chloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108-12-3 , 12/3/108

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) 2.45 1.67 -3.42 0 1 0 17 120.579 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 115 - 117 Acros Organics
Boiling_Point 115-117? Alfa-Aesar
Boiling_Point 115-117° Alfa-Aesar
BP 116 TCI
Hazard C: Corrosive Acros Organics
Hazard F: Highly flammable Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H331: Toxic if inhaled; H226: Flammable liquid and vapor Acros Organics
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 protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R10: Flammable.; R20: Harmful by inhalation.; R34: Causes burns. Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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