Basic information
- CAS
39557-45-4- Standard SMILES
CC(C)(C)[NH3+].[I-]- InChIKey
NLJDBTZLVTWXRG-UHFFFAOYSA-N- Molecular formula
- C4H12IN
- Average molar mass
- 201.05 g/mol
Names & identifiers
- Preferred name
- t-Butylammonium Iodide
- IUPAC
- tert-butylazanium iodide
- English name
- tert-Butylamine Hydroiodide
- Molecular formula
- C4H12IN
- Molecular weight
- 201.05
Names & synonyms
t-butylammonium iodideRefChem:890177807-959-1tert-butylammonium iodidet-butylammoniumiodidetertbutylammonium iodidetert-butyl ammonium iodidetert-butyl ammonium-iodidetertiary butyl ammonium iodideNLJDBTZLVTWXRG-UHFFFAOYSA-NC(CH3)3NH3I(t-BAI)tert-Butylamine Hydroiodide
Show more names
2-Methyl-2-propanaminium iodidetert-Butylamine Hydroiodide >2-methylpropan-2-amine:hydroiodidetert-Butylamine Hydroiodide
Database identifiers
- CAS
39557-45-4- PubChem CID
- 22344722
- EC Number
- 807-959-1
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25.1
Physicochemical properties
- Melting point
- 270.5 °C · 270.5°C
- Water Solubility
- Soluble in water
- form
- powder
- color
- Powder/crystals
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- HS Code
- 29211990 · 29211990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT 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
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- WGK 3
- hs_code
- 29211990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionTert-butylammonium iodide, (tBAI) is used as a perovskite precursor to enable 2D structures with smoother films achieve higher PCEs for perovskite LEDs and solar cells.
UsesThe iodide and bromide based alkylated halides find applications as precursors for fabrication of perovskites for photovoltaic applications.
General Descriptiont-Butylammonium iodide is an ammonium salt the facilitates the formation of highly stable perovskites with good performances. It can be used as an A-site cation that can be combined with methylammonium lead iodide to produce dimethylammonium, iso-propylammonium, and t-butylammonium lead iodide perovskites.
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东元丰化学试剂有限公司
Related reactions
36 records
Compound notes
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