Basic information
- CAS
53350-83-7- Standard SMILES
CCN(CC)c1ccc2cc(C3N(C)c4ccccc4N3C)c(=O)oc2c1.[Cl-].[Cl-].[Cl-].[Zn+2]- InChIKey
DYQABTKJBUEGLG-UHFFFAOYSA-K- Molecular formula
- C22H25Cl3N3O2Zn-
- Average molar mass
- 535.2 g/mol
- Monoisotopic mass
- 532.030377
Names & identifiers
- Preferred name
- 2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazole trichlorozincate
- IUPAC
- zinc;7-(diethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one;trichloride
Names & synonyms
53350-83-7EINECS 258-493-52-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazole trichlorozincate2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazole trichlorozincate1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, trichlorozincate(1-)RefChem:84530258-493-5zinc;7-(diethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one;trichlorideDTXSID001029887
Database identifiers
- CAS
53350-83-7- PubChem CID
- 6452811
- DTXSID
DTXSID001029887- EC Number
- 258-493-5
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- -1
- Complexity
- 570
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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