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XtalFluor-E

XtalFluor-E structure

CAS No:
63517-29-3
Formula:
C4H10BF6NS
Chemical Name:
XtalFluor-E
Synonyms:
N,N-Diethyl-S,S-difluorosulfiliminium tetrafluoroborate;XtalFluor-E(R);DiethylaMinodifluorosulfiniuM tetrafluoroborate;diethylamino(difluoro)sulfanium,tetrafluoroborate;XtalFluor-E®;XtalFluor-E;Xtalfiuor-E;(Diethylamino)difluorosulfonium tetrafluoroborate
Categories:
Chemical Reagents > Desulfurizer

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XtalFluor-E Basic Attributes

Molecular Weight：

228.9953192

Exact Mass：

229.053116

EC Number：

1312995-182-4

DSSTox ID：

DTXSID50659249

Characteristics

PSA：

4.2

XLogP3：

2.93050

Melting Point：

84-87℃

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2923 8/PG 3

wgk germany：

hazard class code：

23/24/25-34

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P403 + P233

Hazard Statements：

H301 + H311 + H331-H314

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

diethylaminodifluorosulfinium tetrafluoroborate

XtalFluor-E Use and Manufacturing

Convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scopeDeoxofluorination reagent with a better safety profile1, that doesn′t generate corrosive HF2 which makes it suitable for use in standard borosilicate vessels, and does not react violently with water3Reactant for:• ;Preparation of fluorodisaccharides4

Computed Properties

Molecular Weight:229.00
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:229.0531196
Monoisotopic Mass:229.0531196
Topological Polar Surface Area:4.2
Heavy Atom Count:13
Complexity:75.1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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