1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (140681-55-6),1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (140681-55-6) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
CAS No.:
140681-55-6
Molecular Structure:
Formula:
C₇H₁₄ClFN₂^.2(BF₄)
Molecular Weight:
354.26
Synonyms:
N-Fluoro-N'-chloromethyl-triethylenediamine-bis-(tetrafluoroborate);N-Fluoro-N\'-chloromethyltriethylenediaminebis(tetrafluoroborate);N-Chloromethyl-N-Fluorotriethylenediammonium Bis(Tetrafluoroborate) F-Teda;1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate);1,4-Diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, bis(tetrafluoroborate(1-));1,4-Diazoniabicyclo[2.2.2]octane,1-(chloromethyl)- 4-fluoro-,bis[tetrafluoroborate(1-)];N-Fluoro-N'-chloromethyltriethylenediamine;
EINECS:
414-380-4
Melting Point:
260 °C(lit.)
Solubility:
soluble in water
Appearance:
white powder.
Hazard Symbols:
Xn,O,F,Xi
Risk Codes:
22-36/37/38-41
Safety Description:
26-36/37/39 Details
Transport Information:
UN 3088 4.2/PG 2

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Chemistry

IUPAC Name: 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate
Following is the structure of 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (CAS NO.140681-55-6):

Empirical Formula: C₇H₁₄B₂ClF₉N₂
Molecular Weight: 354.2601 g/mol
Melting point: 260 °C(lit.)
storage temp.: 2-8°C
Water Solubility: soluble
Sensitive: Moisture Sensitive
Appearance of 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (CAS NO.140681-55-6): White powder
Canonical SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
InChI: InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1
InChIKey: TXRPHPUGYLSHCX-UHFFFAOYSA-N

Toxicity Data With Reference

1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (CAS NO.140681-55-6) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: Harmful Xn, Oxidizing O, Flammable F, Irritant Xi
Risk Statements: 22-36/37/38-41
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3088 4.2/PG 2
WGK Germany: 2
Hazard Note: Oxidising Agent
TSCA: T
HazardClass :8
PackingGroup: II

Specification

1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) , its cas register number is 140681-55-6. It also can be called N-Chloromethyl-N'-fluorotriethylenediammonium bis(tetrafluoroborate); Selectfluor fluorinating reagent ; 1,4-Diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, tetrafluoroborate(1-) (1:2) ; and 1,4-Diazoniabicyclo(2.2.2)octane, 1-(chloromethyl)-4-fluoro-, bis(tetrafluoroborate(1-)) . Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (CAS NO.140681-55-6) is Thermally unstable, Moisture sensitive and Heat sensitive. It should avoid the condition like incompatible materials, ignition sources, exposure to moist air or water, flammable materials, temperatures above 30°C. It is not compatible with strong oxidizing agents, reducing agents, strong acids, bases. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, boron trifluoride. However, its hazardous polymerization will not occur.