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Selectfluor

Selectfluor structure

CAS No:
140681-55-6
Formula:
C7H14ClFN2.2BF4
Chemical Name:
Selectfluor
Synonyms:
1,4-Diazoniabicyclo[2.2.2]octane,1-(chloromethyl)-4-fluoro-,tetrafluoroborate(1-) (1:2);1,4-Diazoniabicyclo[2.2.2]octane,1-(chloromethyl)-4-fluoro-,bis[tetrafluoroborate(1-)];1,4-Diazabicyclo[2.2.2]octane,1,4-diazoniabicyclo[2.2.2]octane deriv.;1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate);Selectfluor;1-Chloromethyl-4-fluoro-1,4-diazobicyclo[2.2.2]octane bis(tetrafluoroborate);1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate;N-Fluoro-N′-chloromethyltriethylenediamine bis(tetrafluoroborate)
Categories:
Chemical Reagents > Desulfurizer

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Selectfluor Basic Attributes

Molecular Weight：

354.26

Exact Mass：

354.088806

EC Number：

414-380-4

UNII：

4P1ZA6R76D

DSSTox ID：

DTXSID0073112

HScode：

2933990090

Characteristics

PSA：

XLogP3：

3.24560

Appearance：

White Powder

Melting Point：

170 °C

Water Solubility：

H2O: soluble

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3088 4.2/PG 2

wgk germany：

hazard class code：

22-36/37/38-41-52/53-43

safety instructions：

26-36/37/39-61-21

Marks：

Xn,O,F,Xi

Hazard note：

Oxidising Agent

Precautionary statement(s)：

P235 + P410-P273-P280-P305 + P351 + P338

Hazard Statements：

H252-H302-H317-H318-H412

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H252 (46.67%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures]|P235+P410, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P407, P413, P420, and P501|Aggregated GHS information provided by 90 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-chloromethyl-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane bis(tetrafluoroborate)

Selectfluor Use and Manufacturing

Uses

Fluorinating agent can perform monofluorination reaction on electron-rich double bonds, enol silyl ethers, lithium enol salts, etc., for the preparation of fluorine-containing steroid drugs.

Manufacturing Info：

1,4-Diazoniabicyclo[2.2.2]octane, 1-(chloromethyl)-4-fluoro-, tetrafluoroborate(1-) (1:2): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:354.3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:1
Exact Mass:354.0887899
Monoisotopic Mass:354.0887899
Heavy Atom Count:21
Complexity:168
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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CAS No.: 140681-55-6

Grade: Pharmaceutical grade

Content: 99%

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