(Ferrocenylmethyl)trimethylammonium chloride
Catalog Number
ACM83617792-1
CAS
83617-79-2
IUPAC Name
cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride
Synonyms
(Trimethylammoniomethyl)ferrocene chloride
Molecular Weight
293.62
Molecular Formula
C14H20ClFeN
Product Information
Canonical SMILES
C[N+](C)(C)CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Cl-].[Fe+2]
Inchi
InChI=1S/C9H15N.C5H5.ClH.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;/h4-7H,8H2,1-3H3;1-5H;1H;/q;-1;+2/p-1
InChIKey
IVQIXUCSDNCTDO-UHFFFAOYSA-M
Purity
98%+
Appearance
Light yellow to brown powder to crystal
storage
Store under inert gas
Complexity
107
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
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.
Reaxys Registry Number
16865512
Rotatable Bond Count
2
Signal Word
Warning
Monoisotopic Mass
293.063363
Topological Polar Surface Area
0 Ų
Exact Mass
293.063363
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