UCSF

ZINC01700213

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 No

Popular Name: 1-Naphthoyl chloride 1-Naphthoyl chloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 879-18-5 , [879-18-5]

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) 3.55 1.42 -6.73 0 1 0 17 190.629 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 118?/0.1mm Alfa-Aesar
BP 118°/0.1mm Matrix Scientific
Melting_Point 16-19? Alfa-Aesar
MP 16-19° Matrix Scientific
BP [°C] 190 (p=35 torr) Acros Organics
Mp [°C] 26 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Moisture Sensitive Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
Warnings MOISTURE SENSITIVE, CORROSIVE 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 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.; S28A: After contact with skin, wash immediately with plenty of water. Acros Organics

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