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Azidotrimethylsilane

HCID 78378
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4648-54-8
Standard SMILES
C[Si](C)(C)N=[N+]=[N-]
InChIKey
SEDZOYHHAIAQIW-UHFFFAOYSA-N
Molecular formula
C3H9N3Si
Average molar mass
115.21 g/mol

Overview

structure in first source

Names & identifiers

Preferred name
Azidotrimethylsilane
IUPAC
azido(trimethyl)silane
English name
Azidotrimethylsilane
Molecular formula
C3H9N3Si
Molecular weight
115.21

Names & synonyms

azidotrimethylsilaneTrimethylsilyl azide4648-54-8Silane, azidotrimethyl-EM57JSM2Y9Me3SiN3DTXSID3063542RefChem:116112DTXCID7040493225-078-5Trimethylsilylazideazido(trimethyl)silane
Show more names
TMSN3TMSiAdecomposes(CH3)3SiN3AzidotrimethyLThree methyl azide silaneCFS-548Co-Formula CFS-548
MFCD00001986Trimethylazidosilane; Trimethylsilicon azide; Trimethylsilyl azideC3H9N3SitrimethylazidosilaneCCRIS 8048TMS azideTMS-azidetrimethyl silylazide

Database identifiers

CAS
4648-54-8
PubChem CID
78378
DTXSID
DTXSID3063542
UNII
EM57JSM2Y9
EC Number
225-078-5
Nikkaji
J80.870I

Properties

Computed structural properties

Topological polar surface area
14.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
97.2

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-95 °C · -95°C
Boiling point
92 · 92-95 °C(lit.)
Density
0.876 g/mL · 0.876 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.415(lit.)
Flash point
74 °F · 74 °F
storage temp.
2 · 2-8°C
solubility
Miscible with toluene, dichloromethane, diethyl ether and most organic solvents.
form
Liquid
Specific Gravity
0.868 · 0.868
color
Clear colorless to slightly yellow
Water Solubility
decomposes
Sensitive
Moisture Sensitive

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 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Silane, azidotrimethyl-

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23688

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

Hazards SummaryReacts with water evolving toxic gases; May cause irritation; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Hexamethyldisilazane. See Sodium azide.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
CSL Reaction Information · 6 items

CSL00010

BORON TRIFLUORIDE + AZIDOTRIMETHYLSILANE

Combinations of TMSN3 and Lewis acids can detonate, presumably due to formation of HN3 from residual water. Avoid Lewis acids.

Explosive

Cycloaddition

User-Reported

Safety data

F
10-33
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSilane, azidotrimethyl-: ACTIVE
Applications · 2 items

UsesTrimethylsilyl azide is used as an azidonation reagent for amines, amides, aldehydes and ketones. It is involved in the preparation of alfa- and beta-siloxy azides from carbonyl compounds and epoxides. It is also used in the preparation of heterocyclic compounds and also acts as an effective substitute for hydrazoic acid. Further, it is used in the Oseltamivir total synthesis.

UsesMany applications of TMSA in organic synthesis have been reported but only representative examples are described herein.Substitution Reactions. Benzyl,allyl,and substituted alkyl halides are converted to the corresponding azides in 60–100% yields via reactions with TMSA under neutral conditions in a nonaqueous solvent (eq 1).By using tin(IV) chloride as a catalyst, secondary and tertiary cyclic and polycyclic halides are similarly transformed into the corresponding azides in 50–92% yields (eq 1).

Preparation methods · 1 item

PreparationAzidotrimethylsilane may be synthesised by reacting trimethylchlorosilane with sodium azide in hexamethylphosphoramidic triamide. several methods for the synthesis of this azide have been reported.The procedure involving aluminum chloride is not recommended, since an explosive product is formed.Azidotrimethylsilane is now commercially available, and a representative synthetic procedure is as follows. A mixture of sodium azide and chlorotrimethylsilane is refluxed in di-n-butyl ether for 2 days and the azide is safely distilled directly from the reaction vessel. Purer compound (99% content) is obtained by redistillation of the product. Several improved conditions have been reported for the preparation of this azide.In these procedures, trimethylsilyl chloride is reacted with sodium azide either neat or in a high boiling point solvent, such as a mixture of silicone oil and polyethylene glycol. Distillation of the crude product usually provides trimethylsilyl azide (TMSA) in high purity (97.9%) and yield (97%).

Related reactions

772 records
New reaction record
HRID 1625 reaction equation
HRID 1625As reactantuspto-grants-1998_03
HRID 1628 reaction equation
HRID 1628As reactantuspto-grants-1998_03
HRID 1629 reaction equation
HRID 1629As reactantuspto-grants-1998_03
HRID 2835 reaction equation
HRID 2835As reactantuspto-grants-1998_03
HRID 2978 reaction equation
HRID 2978As reactantuspto-grants-1998_03
HRID 10517 reaction equation
HRID 10517As reactantuspto-grants-2006_08
HRID 15923 reaction equation
HRID 15923As reactantuspto-grants-2010_06
HRID 18462 reaction equation
HRID 18462As reactantuspto-grants-2010_06
Page 1 of 97

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Hydrolytic Sensitivity
8 · 8: reacts rapidly with moisture, water, protic solvents
BRN
1903730 · 1903730
InChI
1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3
InChIKey
SEDZOYHHAIAQIW-UHFFFAOYSA-N
SMILES
C[Si](C)(C)N=[N+]=[N-]
CAS DataBase Reference
4648 · 4648-54-8(CAS DataBase Reference)
FDA UNII
57 JSM2Y9 · EM57JSM2Y9
NIST Chemistry Reference
Azidotrimethylsilane(4648-54-8)
EPA Substance Registry System
Azidotrimethylsilane (4648-54-8)
UNSPSC Code
12352103 · 12352103
NACRES
23 · NA.23
Symbol(GHS)
2 · GHS02,GHS06
Signal word
Danger
Hazard statements
225 · H225-H301+H311+H331
Precautionary statements
210 · P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,T,N
Risk Statements
11 · 11-23/24/25-50/53-29
Safety Statements
16 · 16-36/37/39-45-8-57-36/37-29
RIDADR
1992 · UN 1992 3/PG 2
WGK Germany
3 · 3
F
10 · 10-33
Autoignition Temperature
300 °C · 300 °C
TSCA
TSCA listed
HazardClass
3 · 3
PackingGroup
II
HS Code
29310095 · 29310095
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2
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)
wgk
3
tsca
TSCA listed
ridadr
UN 1992 3/PG 2
hs_code
29310095
risk_code
11-23/24/25-50/53-29
Signal word
Danger
Symbol(GHS)
GHS02,GHS06
hazard_code
F,T,N
safety_code
16-36/37/39-45-8-57-36/37-29
hazard_class
3
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H225-H301+H311+H331
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
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2
Autoignition Temperature
300 °C
Precautionary statements
P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311

Upstream & downstream products

Upstream raw materials

HexamethylphosphoramideSodium azideChlorotrimethylsilanePhosphite III

Downstream products

2,2-Dichloro-1-methylcyclopropanamine3-Thienyl isocyanate4-Fluoro-3-nitrobenzoic acidbenzoylazideTributyltin azideTrimethyl(phenoxy)silane1-Thien-2-yl-1,4-dihydro-5H-tetrazol-5-oneMolybdenum tetrabromideAzide