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Deoxo-Fluor

Deoxo-Fluor structure

CAS No:
202289-38-1
Formula:
C6H14F3NO2S
Chemical Name:
Deoxo-Fluor
Synonyms:
Sulfur,trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-κN]-,(T-4)-;(T-4)-Trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-κN]sulfur;Deoxo-Fluor;Bis(2-methoxyethyl)aminosulfur trifluoride;Deoxy-Fluor;BAST;Ethanamine,2-ethoxy-N-(2-ethoxyethyl)-N-(trifluorothio)-;1005499-60-4
Categories:
Chemical Reagents > Organic Reagents

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Description

Dark yellow-orange liquid

Deoxo-Fluor Basic Attributes

Molecular Weight：

221.24

Exact Mass：

221.24

EC Number：

478-190-3

UNII：

A6219390VZ

DSSTox ID：

DTXSID5074898

HScode：

29319090

Characteristics

PSA：

47.00000

XLogP3：

1.95430

Appearance：

clear yellow liquid

Density：

1.2±0.1 g/cm3

Boiling Point：

>80°C

Flash Point：

205 °F

Refractive Index：

1.392

Storage Conditions：

2-8°C

Safety Information

Hazard category：

KEEP COLD, CORROSIVE

Transport codes：

UN REST

wgk germany：

hazard class code：

14-23/25-29-35-67-65-63-48/20-25-11-40-37-19

safety instructions：

23-26-36/37/39-43-45-8-62-46-25-16

Marks：

T,C,F

Hazard note：

Toxic/Corrosive

Precautionary statement(s)：

P231 + P232-P261-P280-P301 + P310-P305 + P351 + P338-P422

Hazard Statements：

H261-H301-H314-H331

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H201 (34.92%): Explosive; mass explosion hazard [Danger Explosives]|P210, P230, P231+P232, P240, P250, P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P330, P363, P370+P378, P370+P380, P372, P373, P401, P402+P404, P403+P233, P405, and P501|Aggregated GHS information provided by 63 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

(bis(2-methoxyethyl)amino)sulfur trifluoride

Deoxo-Fluor Use and Manufacturing

Uses

Versatile, thermally stable nucleophilic fluorinating reagent.

Manufacturing Info：

Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:221.24
XLogP3:2.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:221.06973435
Monoisotopic Mass:221.06973435
Topological Polar Surface Area:22.7
Heavy Atom Count:13
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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