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3-(2-Benzimidazolyl)-7-(diethylamino)coumarin

Catalog Number
ACM27425554-1
CAS Number
27425-55-4
Product Name
3-(2-Benzimidazolyl)-7-(diethylamino)coumarin
Structure
Category
Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials; Coumarin Dyes
Synonyms
Coumarin 7
IUPAC Name
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one
Molecular Weight
333.39
Molecular Formula
C20H19N3O2
Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
InChI Key
GOLORTLGFDVFDW-UHFFFAOYSA-N
Melting Point
242 °C
Purity
>98.0%(T)(HPLC)
Appearance
White to Light yellow powder to crystal
Storage
Store under inert gas
Complexity
531
Covalently-Bonded Unit Count
1
EC Number
248-451-4;602-763-0
Exact Mass
333.147727g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
25
MDL Number
MFCD00051348
MeSH Entry Terms
coumarin 7
Monoisotopic Mass
333.147727g/mol
NSC Number
303254
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
4
Signal Word
Warning
XLogP3
4
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