Hexamethylenediammonium diiodide
Basic information
- CAS
20208-23-5- Standard SMILES
[I-].[I-].[NH3+]CCCCCC[NH3+]- InChIKey
UBZXDFQTNLTDMC-UHFFFAOYSA-N- Molecular formula
- C6H18I2N2
- Average molar mass
- 372.03 g/mol
- Monoisotopic mass
- 371.95594
Names & identifiers
- Preferred name
- Hexamethylenediammonium diiodide
- IUPAC
- 6-azaniumylhexylazanium diiodide
- English name
- hexamethylenediammonium diiodide
- Molecular formula
- C6H18I2N2
- Molecular weight
- 372.02946
Names & synonyms
Hexamethylenediammonium diiodideEINECS 243-598-01,6-Hexanediamine, hydriodide (1:2)RefChem:786239243-598-020208-23-5Hexane-1,6-diammonium Iodide6-azaniumylhexylazanium;diiodideHexane-1,6-diaminium iodide1,6 CHexanediammonium diiodidehexane-1,6-diammonium diiodidehexamethylene diammonium diiodide
Show more names
HDADISKL942C6H18N2I2(HDADI)1,6-Hexanedi ammonium Iodide1,6–Hexanediammonium diiodide1,6-Hexanediamine dihydriodidehexane-1，6-diamine dihydroiodide
Hexamethylenediammonium bishydroiodide
Database identifiers
- CAS
20208-23-5- PubChem CID
- 44153272
- EC Number
- 243-598-0
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 31.5
Physicochemical properties
- form
- powder
- color
- off-white
- InChI
- 1S/C6H16N2.2HI/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H
- InChIKey
- UBZXDFQTNLTDMC-UHFFFAOYSA-N
- SMILES
- [I-].[I-].[N+H3]CCCCCC[N+H3]
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H314-H335
- Precautionary statements
- 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- WGK Germany
- 3 · WGK 3
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
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+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 8A - Combustible corrosive hazardous materials
- target organs
- Respiratory system
- Hazard statements
- H302+H312-H314-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesOrganohalide based perovskites have emerged as an important class of material for solar cell applications. The variations/substitution in organohalide cations and anions is employed for the optimization of the band gap, carrier diffusion length, and power conversion efficiency of perovskites based solar cells.
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Compound notes
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