Tridecafluoroheptanoyl chloride - CAS 52447-22-0

Catalog:	BB027830
Product Name:	Tridecafluoroheptanoyl chloride
CAS:	52447-22-0
Synonyms:	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
Description:	Tridecafluoroheptanoyl chloride (CAS# 52447-22-0) is used in process for preparation of Diacrylate with Polyfluorine chain.
Molecular Weight:	382.51
Molecular Formula:	C7ClF13O
Canonical SMILES:	C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI:	InChI=1S/C7ClF13O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
InChI Key:	IAHVCTQMGIVZJU-UHFFFAOYSA-N
Boiling Point:	113.3 °C at 760 mmHg
Purity:	95 %
Density:	1.709 g/cm³
MDL:	MFCD00156013
LogP:	4.49060

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	450
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	381.9430084
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	14
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	381.9430084
Rotatable Bond Count:	5
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2