CAS No.52447-22-0,PERFLUOROHEPTANOYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52447-22-0
Name:	PERFLUOROHEPTANOYL CHLORIDE
Article Data:	8

Formula:	C7Cl F13 O
Molecular Weight:	382.509
Synonyms:	Heptanoylchloride, tridecafluoro- (9CI);Perfluoroheptanoyl chloride;
Density:	1.709g/cm³
Boiling Point:	113.3°Cat760mmHg
Flash Point:	22.4°C
Hazard Symbols:	C
Risk Codes:	22-34
Safety:	26-36/37/39-45
PSA:	17.07000
LogP:	4.49060

Synthetic route

: 375-84-8
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride

: 52447-22-0
perfluoroheptanoyl chloride

Conditions

Conditions	Yield
With aluminium trichloride; tertiary butyl chloride at 85 - 90℃; for 6h;	98%
With aluminium trichloride; tertiary butyl chloride at 85 - 90℃; for 6h; Mechanism; Product distribution; further reagents: CH2Cl2, CHCl3, CCl4, or acetyl chloride with aluminum chloride, aluminum chloride;	98%

: 375-85-9
perfluoroheptanoic acid

: 52447-22-0
perfluoroheptanoyl chloride

Conditions

Conditions	Yield
With pyridine; thionyl chloride for 2h; Heating;	91%
With pyridine; thionyl chloride Heating;
With thionyl chloride
With Dichloromethyl methyl ether

: 375-84-8
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride

A: 355-41-9
perfluoro-n-hexyl chloride

B: 52447-22-0
perfluoroheptanoyl chloride

Conditions

Conditions	Yield
With tetrachloromethane; pyrographite at 380 - 400℃; for 10h; Mechanism; other perfluoroacyl fluoride, in the absence of CCl4, also in the presence of var. halogens, also in absence of the active charcoal, also with γ-Al2O3 or active carbon (SKT-6), var. temperatures;

: 20109-59-5
perfluoroheptanoic acid sodium salt

: 52447-22-0
perfluoroheptanoyl chloride

Conditions

Conditions	Yield
With thionyl chloride

: 559-14-8
perfluorooct-1-ene

: 52447-22-0
perfluoroheptanoyl chloride

Conditions

Conditions	Yield
With thionyl chloride; potassium chloride; tetrabutylammomium bromide; potassium hydroxide In dichloromethane; N,N-dimethyl-formamide at 35℃; for 2.5h;

: 52447-22-0
perfluoroheptanoyl chloride

: 375-85-9
perfluoroheptanoic acid

Conditions

Conditions	Yield
With water	93.2%

: 52447-22-0
perfluoroheptanoyl chloride

: C56H33N9

: C63H32F13N7O

Conditions

Conditions	Yield
In chloroform at 100℃; for 14h; Sealed tube;	90%

: 100-02-7
4-nitro-phenol

: 52447-22-0
perfluoroheptanoyl chloride

: 140477-36-7
perfluoroenanthic acid 4-nitrophenyl ester

Conditions

Conditions	Yield
With pyridine In diethyl ether for 4h; Heating;	89%

: 67-56-1
methanol

: 52447-22-0
perfluoroheptanoyl chloride

: 14312-89-1
methyl perfluoroheptanoate

Conditions

Conditions	Yield
With pyridine at 0 - 5℃; for 4h;	88%

: 33843-69-5
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid hydrazide

: 52447-22-0
perfluoroheptanoyl chloride

: 33843-77-5
N,N'-bis-tridecafluoroheptanoyl-hydrazine

Conditions

Conditions	Yield
In diethyl ether addn. of soln. of C6F13C(O)NHNH2 in ether to C6F13C(O)Cl, shaking, standing 1 h, then heating by reflux (3-4 h);	83%
In diethyl ether addn. of soln. of C6F13C(O)NHNH2 in ether to C6F13C(O)Cl, shaking, standing 1 h, then heating by reflux (3-4 h);	83%

Raw Materials

375-84-8

375-85-9

Downstream Products

375-82-6

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Specification

The Tridecafluoroheptanoyl chloride, with the CAS registry number 52447-22-0, is also known asPerfluoroheptanoyl chloride.It belongs to the product Fine Chemicals;Pharmaceutical intermediates, intermediates. This chemical's molecular formula is C₇ClF₁₃O and molecular weight is 382.5.What's more,Its systematic name is Tridecafluoroheptanoyl chloride.

Physical properties about Tridecafluoroheptanoyl chloride are: (1)ACD/LogP: 4.964; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 3489.70; (6)ACD/BCF (pH 7.4): 3489.70; (7)ACD/KOC (pH 5.5): 11954.25; (8)ACD/KOC (pH 7.4): 11954.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.296; (13)Molar Refractivity: 41.281 cm³; (14)Molar Volume: 223.697 cm³; (15)Polarizability: 16.365 10-24cm³ ; (16)Surface Tension: 16.1319999694824 dyne/cm; (17)Density: 1.71 g/cm³; (18)Flash Point: 22.352 °C; (19)Enthalpy of Vaporization: 35.185 kJ/mol; (20)Boiling Point: 113.347 °C at 760 mmHg; (21)Vapour Pressure: 20.8889999389648 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:C(=C)\CCCCCCCC.C=C\CCCCCC;
(2)Std. InChI:InChI=1S/C10H20.C8H16/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2/h3H,1,4-10H2,2H3;3H,1,4-8H2,2H3;
(3)Std. InChIKey:XKKPTSDYGCWOCE-UHFFFAOYSA-N;