CAS 996-50-9 (Diethylamino)trimethylsilane (HCID 70454)

Overview

N-(trimethylsilyl)diethylamine is an N-silyl compound that is diethylamine in which the amino hydrogen is replaced by a trimethylsilyl group. N-(trimethylsilyl)diethylamine is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent. It is functionally related to a diethylamine.

Names & identifiers

Preferred name: (Diethylamino)trimethylsilane
IUPAC: N-ethyl-N-trimethylsilylethanamine
English name: N,N-Diethyl-1,1,1-trimethylsilylamine
Molecular formula: C7H19NSi
Molecular weight: 145.32

Names & synonyms

996-50-9N,N-Diethyl-1,1,1-trimethylsilylamineDiethylaminotrimethylsilane(Diethylamino)trimethylsilaneSilanamine, N,N-diethyl-1,1,1-trimethyl-(trimethylsilyl)diethylamineNSC 3776505LP9WK7P33TRIMETHYL(DIETHYLAMINO)SILANEEINECS 213-637-6NSC-377650Silylamine, N,N-diethyl-1,1,1-trimethyl-

Show more names

TRIMETHYLSILYLDIETHYLAMINEN-(TRIMETHYLSILYL)DIETHYLAMINEDK436TMSDEACD4450(CH3)3SiN(C2H5)2Trimethylsilyl-diethylaminDiethyl(trimethylsilyl)amine

DTXSID5061370RefChem:406146N(Trimethylsilyl)diethylamineDTXCID2049133Silanamine, N,Ndiethyl1,1,1trimethyl213-637-6n,n-diethyl-1,1,1-trimethylsilanamineN,N-Diethyltrimethylsilylamine

Database identifiers

CAS: 996-50-9
PubChem CID: 70454
DTXSID: DTXSID5061370
ChEBI: CHEBI:85070
UNII: 5LP9WK7P33
EC Number: 213-637-6
Nikkaji: J150.863F

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 71.5

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -10 °C · -10°C
Boiling point: 125 · 125-126 °C(lit.)
Density: 0.767 g/mL · 0.767 g/mL at 25 °C(lit.)
vapor density: 1 · >1 (vs air)
refractive index: 20 · n20/D 1.411(lit.)
Flash point: 50 °F · 50 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly)
pka: 11.27 · 11.27±0.70(Predicted)
form: clear liquid
Specific Gravity: 0.763 · 0.763
color: Colorless to Light yellow
Water Solubility: decomposes
Sensitive: Moisture Sensitive
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
BRN: 635718 · 635718
InChI: 1S/C7H19NSi/c1-6-8(7-2)9(3,4)5/h6-7H2,1-5H3
InChIKey: JOOMLFKONHCLCJ-UHFFFAOYSA-N
SMILES: CCN(CC)[Si](C)(C)C
CAS DataBase Reference: 996 · 996-50-9(CAS DataBase Reference)
FDA UNII: 5 LP9WK7P33 · 5LP9WK7P33
NIST Chemistry Reference: -1 · N,N-Diethyl-1,1,1-trimethylsilylamine(996-50-9)
EPA Substance Registry System: -1 · Silanamine, N,N-diethyl-1,1,1-trimethyl- (996-50-9)
UNSPSC Code: 12352100 · 12352100
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 · 11-34
Safety Statements: 26 · 26-36/37/39-45-24/25-16
RIDADR: 2733 · UN 2733 3/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29310095 · 29310095
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Skin · Flam. 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)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 71 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Silanamine, N,N-diethyl-1,1,1-trimethyl-

Status: Active Update: 06-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33669

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

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Hexamethyldisilazane.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
hs_code: 29310095
risk_code: 11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 26-36/37/39-45-24/25-16
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: Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSilanamine, N,N-diethyl-1,1,1-trimethyl-: ACTIVE

Applications · 3 items

UsesTrimethylsilyldiethylamine is a reagent used as an electrophilic trimethylsilyl source for cleavage of cyclic ethers, esters, oxazolidines, and cyclic acetals; also as a nucleophilic source of the diethylamino group, participating in the following synthesis reactions: Trimethylsilyl Group Transfer, Diethylamino Group Transfer, Trimethylsilyldiethylamine as Halosilane Equivalent, Silylation of Alcohols, Mild Generation of Phosphonochloridates, Silylation of Amines, Diethylamino Group Transfer, Conjugate Addition, Aminoalkylation of Aldehydes, Enamine and Silyl Enol Ether Preparation, Mediation of 1,4-Conjugate Additions, etc.

UsesIt is used to derivative polar organic compounds. N,N-Diethyl(trimethylsilyl)amine is a chemical reagent with wide application in organic chemistry and used in stereo specific addition reactions as well as in SN2 nucleophilic substitutions.

General DescriptionN,N-Diethyltrimethylsilylamine is a silylating agent used to derivatize polar organic compounds.

Upstream & downstream products

Downstream products

Diethylaminosulfur trifluoride (4-Methoxyphenylethynyl)trimethylsilane&N,N,N',N'-Tetraethylmethylenediamine 2-(Trimethylsilyloxy)furan 2-Pyrrolidinone Hexamethyldisiloxane N,N'-Bis(trimethylsilyl)-1,4-butanediamine

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: An N-silyl compound that is diethylamine in which the amino hydrogen is replaced by a trimethylsilyl group. N-(trimethylsilyl)diethylamine is a derivatisation agent used in gas chromatography/mass spectrometry applicat ons.