N,N-Diethylethanamine trihydrofluoride (HCID 175505)

Overview

See also: Triethylammonium fluoride (annotation moved to).

Names & identifiers

Preferred name: N,N-Diethylethanamine trihydrofluoride
IUPAC: N,N-diethylethanamine;trihydrofluoride
English name: Triethylamine trihydrofluoride
Molecular formula: C6H18F3N
Molecular weight: 161.21

Names & synonyms

Triethylamine trihydrofluorideN,N-Diethylethanamine trihydrofluoridetriethylamine trishydrofluorideEINECS 277-550-5DTXSID2074372Ethanamine, N,N-diethyl-, hydrofluoride (1:3)RefChem:822328DTXCID7047568Ethanamine, N,Ndiethyl, trihydrofluorideEthanamine, N,Ndiethyl, hydrofluoride (1:3)UN179073602-61-6

Show more names

HFTEA.3HFTRIETHYLAMINE TRIS(HYDROGEN FLUORIDE)Triethylamine trihydroflourideTREAT-HFtrihydrofluorideTriethylamine trihydriethylamine trihydrofluorideHYDROGEN FLUORIDE TRIETHYLAMINE

Ethanamine, N,N-diethyl-, trihydrofluorideN,N-diethylethanamine;trihydrofluorideMFCD00043294hydrogen fluoride in triethylaminehf 37% in triethylamineC6H18F3NTREAT HFZX9Z7YP3AB

Database identifiers

CAS: 73602-61-6
PubChem CID: 175505
DTXSID: DTXSID2074372
UNII: ZX9Z7YP3AB

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 25.7

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical DescriptionColorless liquid with a pungent odor; Hygroscopic; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -29 · -29--27°C
Boiling point: 70 °C15 · 70 °C15 mm Hg(lit.)
Density: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.3915(lit.)
Flash point: 190 °F · 190 °F
storage temp.: 30 °C · Store below +30°C.
solubility: soluble in Chloroform, Hexane
form: Liquid
Specific Gravity: 0.989 · 0.989
color: Clear yellow to brown
PH: 3 · 3 (H2O, 20℃)(saturated aqueous solution)
Water Solubility: soluble
Sensitive: Hygroscopic
BRN: 5522945 · 5522945
Exposure limits: 2.5 mg/m3NIOSH: · ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
InChI: 1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N
SMILES: F[H].F[H].F[H].CCN(CC)CC
CAS DataBase Reference: 73602 · 73602-61-6(CAS DataBase Reference)
EPA Substance Registry System: Ethanamine, N,N-diethyl-, trihydrofluoride (73602-61-6)
UNSPSC Code: 12352107 · 12352107
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 300 · H300+H310+H330-H314
Precautionary statements: 260 · P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T+,T,C,Xi,F
Risk Statements: 26 · 26/27/28-35-36/37/38-20/21/22-11
Safety Statements: 26 · 26-36/37/39-45-7/9-36/37-36-61-29-16-3
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29211910 · 29211910
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 DermalAcute · Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1A
REACH Registrations: Active
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (300g or 300ml)

Safety & regulation

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Triethylamine trishydrofluoride: HSNO Approval: HSR006811 Approved with controls

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Hydrogen fluoride. See Triethylamine hydrochloride.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29211910
risk_code: 26/27/28-35-36/37/38-20/21/22-11
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T+,T,C,Xi,F
hazard_note: Corrosive
safety_code: 26-36/37/39-45-7/9-36/37-36-61-29-16-3
hazard_class: 8
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H300+H310+H330-H314
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (300g or 300ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1A
Precautionary statements: P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanamine, N,N-diethyl-, hydrofluoride (1:3): ACTIVE

Applications · 3 items

UsesTriethylamine trihydrofluoride acts as a mild and selective fluorinating agent used in the synthesis of acid fluorides and alkyl fluorides. It is also used in the synthesis of vicinal difluorides from epoxides, 3-fluoroazetidine. It is utilized as a selective reagent for the cleavage of O-silyl groups in carbohydrates, nucleotides and cyanohydrins. It is actively involved in the electrochemical fluorodeiodination of alkyl iodides and fluorodesilylation in beta-lactams.

UsesMild and selective reagent that has been used in the fluorination of a wide variety of compounds. For a review, see Aldrichimica Acta.

General DescriptionTriethylamine trihydrofluoride (TREAT-HF) is a mild and selective reagent for the fluorination of a wide variety of compounds.

Preparation methods

PreparationTriethylamine and anhydrous hydrogen fluoride react in carbon tetrachloride solution under low temperature conditions to produce triethylamine trihydrofluoride.