331001-62-8

Name 2-[(4-Acetylphenyl)azo]-2-(3,4-dihydro-3,3-diMethyl-1(2H)- isoquinolinylidene)acetaMide
CAS 331001-62-8
Molecular Formula C21H22N4O2
MDL Number MFCD00354369
Molecular Weight 362.42
MOL File 331001-62-8.mol
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Chemical Properties

Boiling point  591.2±50.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 10 mg/ml
form  powder
pka 15.71±0.50(Predicted)
color  yellow to orange
InChI 1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,23H,12H2,1-3H3,(H2,22,27)/b19-18+,25-24?
InChIKey ZXSRRUROLCGTBS-ASEVQSCHSA-N
SMILES CC(C1=CC=C(N=N/C(C(N)=O)=C2NC(C)(C)CC3=C/2C=CC=C3)C=C1)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H312-H315-H319-H332-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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