Bis(5-(diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium) tetrachlorozincate(2-)
Basic information
- CAS
81921-77-9- Standard SMILES
CC(C)N(c1n[n+](C)c(N=Nc2ccc(N(C)C)cc2)s1)C(C)C.CC(C)N(c1n[n+](C)c(N=Nc2ccc(N(C)C)cc2)s1)C(C)C.[Cl][Zn-2]([Cl])([Cl])[Cl]- InChIKey
JNLUABNCEMVGSQ-UHFFFAOYSA-J- Molecular formula
- C34H54Cl4N12S2Zn
- Average molar mass
- 902.2 g/mol
- Monoisotopic mass
- 898.208135
Overview
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Names & identifiers
- Preferred name
- Bis(5-(diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium) tetrachlorozincate(2-)
- IUPAC
- bis(5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine);tetrachlorozinc(2-)
Names & synonyms
Bis(5-(diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium) tetrachlorozincate(2-)Bis[5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] tetrachlorozincate(2-)RefChem:568936279-851-7EINECS 279-851-781921-77-9NS00089972
Database identifiers
- CAS
81921-77-9- PubChem CID
- 44148705
- EC Number
- 279-851-7
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 417
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Related reactions
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Compound notes
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