Difluoromethyl triflate - CAS 1885-46-7

Catalog:	BB014524
Product Name:	Difluoromethyl triflate
CAS:	1885-46-7
Synonyms:	difluoromethyl trifluoromethanesulfonate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	difluoromethyl trifluoromethanesulfonate
Description:	Difluoromethyl triflate (CAS# 1885-46-7) is a useful research chemical.
Molecular Weight:	200.08
Molecular Formula:	C2HF5O3S
Canonical SMILES:	C(OS(=O)(=O)C(F)(F)F)(F)F
InChI:	InChI=1S/C2HF5O3S/c3-1(4)10-11(8,9)2(5,6)7/h1H
InChI Key:	DAANAKGWBDWGBQ-UHFFFAOYSA-N
Density:	1.584 g/mL at 25 ℃
LogP:	2.15600

Publication Number	Title	Priority Date
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021016388-A1	Inhibitors of cyclin-dependent kinase 7 and uses thereof	20190723
TW-202100532-A	Fused tricyclic compounds	20190305
WO-2020178282-A1	Fused tricyclic compounds useful as anticancer agents	20190305

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Related Functional Groups

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[865774-78-3]
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[479552-94-8]
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[13566-71-7]
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[2696462-69-6]
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[1489-53-8]
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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.95665587
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.95665587
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8