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4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide - CAS 852527-60-7

Catalog:	BB037562
Product Name:	4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide
CAS:	852527-60-7
Synonyms:	9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
Description:	4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide (CAS# 852527-60-7 ) is a useful research chemical.
Molecular Weight:	403.14
Molecular Formula:	C9H6F13N3
Canonical SMILES:	C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
InChI:	InChI=1S/C9H6F13N3/c10-4(11,2-1-3-24-25-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
InChI Key:	DQEDVGBNEFVPEU-UHFFFAOYSA-N
MDL:	MFCD09265209
LogP:	5.26846

Publication Number	Title	Priority Date
US-2012196297-A1	Mass tags for mass spectrometric analysis of immunoglobulins	20090714
WO-2011008831-A2	Mass tags for spectrometric analysis of immunoglobulins	20090714

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	517
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	403.0354133
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	15
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	403.0354133
Rotatable Bond Count:	8
Topological Polar Surface Area:	14.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.3