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1,4-Bis[(1H-imidazol-1-yl)methyl]benzene

Catalog Number
ACM56643835-1
CAS Number
56643-83-5
Product Name
1,4-Bis[(1H-imidazol-1-yl)methyl]benzene
Structure
Category
Metal Organic Frameworks (MOFs)
Synonyms
α,α'-Bis[(1-imidazolyl)methyl]-p-xylene
IUPAC Name
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
Molecular Weight
238.29
Molecular Formula
C14H14N4
Canonical SMILES
C1=CC(=CC=C1CN2C=CN=C2)CN3C=CN=C3
InChI
InChI=1S/C14H14N4/c1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2
InChI Key
NKUFFYFOBGGDTP-UHFFFAOYSA-N
Melting Point
132 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
224
Covalently-Bonded Unit Count
1
Exact Mass
238.121846g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
18
MDL Number
MFCD06598031
Monoisotopic Mass
238.121846g/mol
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
1.3
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