3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)

HCID 79454
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Basic information

CAS
5418-63-3
Standard SMILES
CC1=[N+](C)c2ccccc2C1(C)C.[I-]
InChIKey
HCYIOKVZAATOEW-UHFFFAOYSA-M
Molecular formula
C12H16IN
Average molar mass
301.17 g/mol
Monoisotopic mass
301.03274751

Names & identifiers

Preferred name
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
IUPAC
1,2,3,3-tetramethylindol-1-ium iodide
English name
1,2,3,3-Tetramethyl-3H-indolium iodide
Molecular formula
C12H16IN
Molecular weight
301.17

Names & synonyms

5418-63-31,2,3,3-Tetramethyl-3H-indolium iodideEINECS 226-526-23H-Indolium, 1,2,3,3-tetramethyl-, iodideNSC 104982,2,3,4-Tetramethylbenzazolium iodide3H-Indolium,1,2,3,3-tetramethyl-, iodide3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)DTXSID30883489RefChem:95733DTXCID401023017226-526-2
Show more names
AURORA KA-286CAS_5418-63-31,2,3,3-Tetramethyl-1,2,3,3-tetramethylindol-1-ium1,2,3,3-tetramethyl-3h-indoliuiodide,2,3,3-TETRAMETHYL-3H-INDOLIUM IODIDE1,2,3,3-TETRAMETHYL-INDOLENINIUM-IODIDE1,2,3,3-tetramethyl-3H-indolinium iodide
1,2,3,3-tetramethyl-3H-indol-1-ium iodideMFCD00013333C12H16IN1,2,3,3-tetramethylindol-1-ium;iodide1,2,3,3-Tetramethyl-1-indolium Iodide1,2,3,3-Tetramethyl-3H-indoliumiodideSCHEMBL1865228CHEMBL2393299

Database identifiers

CAS
5418-63-3
PubChem CID
79454
DTXSID
DTXSID30883489
ChEMBL
CHEMBL2393299
EC Number
226-526-2

Properties

Computed structural properties

Topological polar surface area
3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
258 °C · 258 °C (dec.)(lit.)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
25 mg/mL, · methanol: 25mg/mL, clear
form
powder or crystals
Appearance
Off-white to pink Solid
Major Application
diagnostic assay manufacturinghematologyhistology

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 40 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 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
NM2251250
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1): ACTIVE
Applications · 1 item

Uses1,2,3,3-Tetramethyl-3H-indolium Iodide can be used in the preparation of fluorophore-dapagliflozin dyad for diabetic liver/kidney damage fluorescent imaging and therapy via SGLT2 inhibition. It can also be useful in the preparation of N-alkylated linear heptamethine polyenes as potential antifungals.

Upstream & downstream products

Suppliers87 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
淄博茵泰医药科技有限公司18766946537 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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