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Trimethylphenylammonium Iodide - 99%, high purity , CAS No.98-04-4

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 98-04-4
Molecular Weight: 263.123
Beilstein Registry Number: 12(3)254
EC Number: 202-630-3
MDL number: MFCD00011791
PubChem CID: 94135
PubChem SID: 488186808

In stock

Item Number

T113597

Grouped product items
SKU	Size	Availability	Price
T113597-5g	5g	2	$9.90
T113597-25g	25g	3	$36.90
T113597-100g	100g	3	$129.90
T113597-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$584.90

View related series

Ammonium salt (193) Onium salts (111)

Basic Description

Synonyms	Benzenaminium,N,N-trimethyl-, iodide \| BS-42319 \| Phenyltrimethylammonium iodide \| Squalene-2,3-epoxide \| Ammonium, phenyltrimethyl-, iodide \| CROTONIC ACID, HEXYL ESTER \| N,N-Trimethylanilinium iodide \| trans-3,7-Dimethyl-2,6-octadienyl phenylacetate \| H
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	Application Phenyltrimethylammonium iodide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals；

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Quaternary ammonium salts Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APOBEC3A Tchem Probable DNA dC->dU-editing enzyme APOBEC-3A (890 Activities)

Discover Target: APOBEC3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

Discover Target: APOBEC3G

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488186808
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186808
IUPAC Name	trimethyl(phenyl)azanium;iodide
INCHI	InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey	KKLAORVGAKUOPZ-UHFFFAOYSA-M
Smiles	C[N+](C)(C)C1=CC=CC=C1.[I-]
Isomeric SMILES	C[N+](C)(C)C1=CC=CC=C1.[I-]
RTECS	BT2450000
PubChem CID	94135
UN Number	2811
Molecular Weight	263.123
Beilstein	12(3)254
Reaxy-Rn	3916752

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
E2306258	Certificate of Analysis	Feb 07, 2025	T113597
E2306260	Certificate of Analysis	Feb 07, 2025	T113597
E2306353	Certificate of Analysis	Feb 07, 2025	T113597
E2306351	Certificate of Analysis	Feb 07, 2025	T113597
E2306268	Certificate of Analysis	Feb 07, 2025	T113597
E2306273	Certificate of Analysis	Feb 07, 2025	T113597
E23061003	Certificate of Analysis	Mar 30, 2023	T113597
F2426241	Certificate of Analysis	Mar 30, 2023	T113597
C2308373	Certificate of Analysis	Mar 17, 2023	T113597
H2210060	Certificate of Analysis	Aug 25, 2022	T113597
G2031059	Certificate of Analysis	May 10, 2022	T113597
G2031058	Certificate of Analysis	May 10, 2022	T113597

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Chemical and Physical Properties

Solubility	Soluble in water and methanol.
Sensitivity	light sensitive&Moisture sensitive.
Melt Point(°C)	227 °C
Molecular Weight	263.120 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	263.017 Da
Monoisotopic Mass	263.017 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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Citations of This Product

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1. Zhenghao Liu, Yiming Li, Zijing Chen, Chengyu Tan, Xiangjin Du, Fubo Tian, Jiangjian Shi, Huijue Wu, Yanhong Luo, Dongmei Li, Qingbo Meng. (2024) Synergistically Regulating CBD-SnO2/Perovskite Buried Interface for Efficient FAPbI3 Perovskite Solar Cells. ADVANCED FUNCTIONAL MATERIALS, (2404173).

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