Diethylaminosulfur trifluoride

C₄H₁₀F₃NSCAS 38078-09-0161.19 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₄H₁₀F₃NS
Molar mass: 161.19 g/mol
Exact mass: 161.0486 Da
Boiling point: 46–47 °C (at 9.8 Torr)
logP: 2.70Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed86.9% of notifiers
H312 Harmful in contact with skin86.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled86.9% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

38078-09-0

SMILES

CCN(CC)S(F)(F)F

InChIKey

CSJLBAMHHLJAAS-UHFFFAOYSA-N

InChI

InChI=1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Sulfur, (N-ethylethanaminato)trifluoro-, (T-4)-
Ethanamine, N-ethyl-, sulfur complex
(T-4)-(N-Ethylethanaminato)trifluorosulfur
Trifluoro(diethylamino)sulfur
(Diethylamino)sulfur trifluoride
DAST
(Diethylamino)trifluorosulfur
(Diethylamino)sulphur trifluoride
(N,N-Diethylamino)sulfur trifluoride
DAST (fluorinating agent)
Diethylaminosulfate trifluoride

Reactions

DIETHYLAMINOSULFUR TRIFLUORIDE (Sulfur, (diethylaminato)trifluoro-)product

Work with Diethylaminosulfur trifluoride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Bis(2-methoxyethyl)amino)sulfur trifluoride202289-38-140 % similar Morpholinosulfur trifluoride51010-74-339 % similar Triethylamine121-44-833 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-630 % similar N,N-Dimethylethylamine598-56-130 % similar N,N-Diethylmethylamine616-39-730 % similar 1,4-Diethylpiperazine6483-50-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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