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Trimethylsilyl iodide

HCID 85247
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
16029-98-4
Standard SMILES
C[Si](C)(C)I
InChIKey
CSRZQMIRAZTJOY-UHFFFAOYSA-N
Molecular formula
C3H9ISi
Average molar mass
200.09 g/mol
Monoisotopic mass
199.95182482

Overview

structure in first source

Names & identifiers

Preferred name
Trimethylsilyl iodide
IUPAC
iodo(trimethyl)silane
English name
Iodotrimethylsilane
Molecular formula
C3H9ISi
Molecular weight
200.09

Names & synonyms

Iodotrimethylsilane16029-98-4TrimethyliodosilaneTrimethylsilyl iodideiodo(trimethyl)silaneSilane, iodotrimethyl-7A65KRZ6NVMe3SiIDTXSID4065997TMSI cpdRefChem:148569DTXCID5035161
Show more names
TMS iodideCT3610IodotrimethyLTrimethylsilyl ioIodotrmethylsilanetrimethyiodosilaneCo-Formula CFS-710
240-171-0TMSIMFCD00001028Iodotrimethylsilane (>90%)TMISIodotrimethylsilane; TMSI;Trimethylsilicon iodide; Trimethylsilyl iodidetrimethylsilyliodideC3H9ISi

Database identifiers

CAS
16029-98-4
PubChem CID
85247
DTXSID
DTXSID4065997
UNII
7A65KRZ6NV
EC Number
240-171-0
Nikkaji
J150.775C

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
5
Formal charge
0
Complexity
28.4

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
0 °C · <0°C
Boiling point
106 · 106–109 °C (223–228 °F; 379–382 K)
Density
1.406 g/mL · 1.406 g/mL
refractive index
20 · n 20/D 1.471 (lit.)
Flash point
31 °C · −31 °C (−24 °F; 242 K)
storage temp.
-20 °C · -20°C
solubility
reacts
form
Clear liquid
color
colorless
Specific Gravity
1.47 · 1.47
Water Solubility

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 · 4 items

Danger

H225 (98.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Silane, iodotrimethyl-

Status: Active Update: 23-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24465

Iodotrimethylsilane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Silicon tetraiodide.
Hazard Classes and CategoriesFlam. Liq. 2 (98.4%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
8-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationSilane, iodotrimethyl-: ACTIVE
Applications · 2 items

UsesIodotrimethylsilane is used for the introduction of trimethylsilyl group in organic synthesis. It is also useful for gas chromatography analysis by converting alcohol into a silyl ether derivative, thereby making it more volatile than the original molecule.Iodotrimethylsilane is a highly efficient reagent for the cleavage of ethers, esters, carbamates, ketals, and lactones. It is also used for the introduction of TMS groups, such as TMS enol ethers, and is a key reagent for the selective removal of N-Cbz groups in the presence of a trimethyltin moiety.This reagent has recently been reported to convert allyl and benzyl phosphotriesters to the corresponding iodides.

General DescriptionIodotrimethylsilane is a multipurpose reagent used in various organic reactions. It is used for the dealkylation of few compounds like lactones, ethers, acetals, and carbamates and trimethylsilylating agent for the synthesis of silyl imino esters, alkyl and alkenyl silanes, etc. It also acts as a Lewis acid catalyst and as a reducing agent in many organic reactions.

Preparation methods · 1 item

PreparationIodotrimethylsilane is prepared by mixing equimolar amounts of chlorotrimethylsilane and sodium iodide in acetonitrile, reduces various benzylic alcohols to the corresponding phenylalkanes. Other have been reported for the preparation of Trimethylsilyl Iodide(TMS-I): chlorotrimethylsilane undergoes halogen exchange with either lithium iodide in CHCl3 or sodium iodide in MeCN, which allows in situ reagent formation. Alternatively, hexamethyldisilane reacts with iodine at 25–61°C to afford TMS-I with no byproducts.

Upstream & downstream products

Related reactions

1,134 records
New reaction record
HRID 8278 reaction equation
HRID 8278As reactantuspto-grants-2006_08
HRID 8899 reaction equation
HRID 8899As reactantuspto-grants-2006_08
HRID 12552 reaction equation
HRID 12552As reactantuspto-grants-2010_06
HRID 16367 reaction equation
HRID 16367As reactantuspto-grants-2010_06
HRID 16377 reaction equation
HRID 16377As reactantuspto-grants-2010_06
HRID 18039 reaction equation
HRID 18039As reactantuspto-grants-2010_06
HRID 20497 reaction equation
HRID 20497As reactantuspto-grants-2010_06
HRID 20516 reaction equation
HRID 20516As reactantuspto-grants-2010_06
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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reacts
Sensitive
Moisture & Light Sensitive
Hydrolytic Sensitivity
8 · 8: reacts rapidly with moisture, water, protic solvents
BRN
1731136 · 1731136
Stability
Moisture Sensitive (Reactive)
InChI
1S/C3H9ISi/c1-5(2,3)4/h1-3H3
InChIKey
CSRZQMIRAZTJOY-UHFFFAOYSA-N
SMILES
C[Si](C)(C)I
CAS DataBase Reference
16029 · 16029-98-4(CAS DataBase Reference)
FDA UNII
7 A65KRZ6NV · 7A65KRZ6NV
NIST Chemistry Reference
Iodotrimethylsilane(16029-98-4)
EPA Substance Registry System
Silane, iodotrimethyl- (16029-98-4)
UNSPSC Code
12352103 · 12352103
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS05
Signal word
Danger
Hazard statements
225 · H225-H314
Precautionary statements
210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
F,C
Risk Statements
11 · 11-14-34
Safety Statements
16 · 16-26-36/37/39-43-45-25
RIDADR
2924 · UN 2924 3/PG 2
WGK Germany
3 · 3
F
8 · 8-21
TSCA
TSCA listed
HazardClass
3 · 3
PackingGroup
II
HS Code
2931900090 · 2931900090
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
1 Flam · Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
REACH Registrations
Active
Limited Quantities
1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
tsca
TSCA listed
ridadr
UN 2924 3/PG 2
hs_code
2931900090
risk_code
11-14-34
Signal word
Danger
Symbol(GHS)
GHS02,GHS05
hazard_code
F,C
safety_code
16-26-36/37/39-43-45-25
hazard_class
3
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H225-H314
Limited Quantities
1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations
Active
Hazard Classifications
Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
Precautionary statements
P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Upstream raw materials

HexamethyldisiloxaneAluminumiodineALUMINUM IODIDE

Downstream products

4-Fluorothiophenol1-Fluoro-4-(trifluoromethylthio)benzene(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acidN,N-DiMethylMethyleneaMMoniuM Iodide3-Trimethylsilyl-2-propyn-1-olTrimethylsilylbenzenesulfonate5-Methyl-L-tryptophan1-Cyclohexenyloxytrimethylsilane1-(Trimethylsiloxy)cyclopentenePhenyltrimethylsilaneTetramethylsilane