CAS No.31430-15-6,Flubendazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31430-15-6
Name:	Flubendazole
Article Data:	5

Formula:	C₁₆H₁₂FN₃O₃
Molecular Weight:	313.288
Synonyms:	N-{5-[(4-Fluorophenyl)carbonyl]benzimidazol-2-yl}methyloxymethanamide;Flubendazolum [INN-Latin];Flumoxane;Fluvermal;Flubenol;Flumoxal;R 17899;methyl N-[5-(4-fluorobenzoyl)-3H-benzoimidazol-2-yl]carbamate;Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate;Carbamic acid,[5-(4-fluorobenzoyl)-1Hbenzimidazol- 2-yl]-,methyl ester;2-Benzimidazolecarbamic acid, 5- (p-fluorobenzoyl)-, methyl ester;
EINECS:	250-624-4
Density:	1.444 g/cm³
Melting Point:	290 °C
Appearance:	almost white powder
Risk Codes:	22
Safety:	44
PSA:	84.08000
LogP:	3.18430

Synthetic route

: 66938-86-1
(3,4-diaminophenyl)(4-fluorophenyl)ketone

: 40943-37-1
O-methyl-N-(methoxycarbonyl)-isourea

: 31430-15-6
flubendazole

Conditions

Conditions	Yield
With formic acid at 80℃; for 3h;	87.6%

: C16H15FN4O3

: 31430-15-6
flubendazole

Conditions

Conditions	Yield
With formic acid

: 31430-15-6
flubendazole

: 229625-50-7
di-tert-butyl chloromethyl phosphate

A: 923672-31-5
C17H15FN3O7P

B: 923672-32-6
C17H15FN3O7P

Conditions

Conditions	Yield
Stage #1: flubendazole; di-tert-butyl chloromethyl phosphate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 5h; Stage #2: With hydrogenchloride In 1,4-dioxane Further stages. Title compound not separated from byproducts.;

...Expand

: copper(II) choride dihydrate

: 7732-18-5
water

: 31430-15-6
flubendazole

: C32H24Cl2CuF2N6O6*4H2O

Conditions

Conditions	Yield
In methanol for 12h; Reflux;

...Expand

: copper(II) nitrate trihydrate

: 7732-18-5
water

: 31430-15-6
flubendazole

: [Cu(NO3)(flubendazole)2(OH2)]NO3*2H2O

Conditions

Conditions	Yield
In methanol for 12h; Reflux;

...Expand

: copper(II) acetate hydrate

: 7732-18-5
water

: 31430-15-6
flubendazole

: C36H30CuF2N6O10*H2O

Conditions

Conditions	Yield
In methanol for 12h; Reflux;

...Expand

: copper(II) perchlorate hexahydrate

: 7732-18-5
water

: 31430-15-6
flubendazole

: C32H24Cl2CuF2N6O14*3H2O

Conditions

Conditions	Yield
In methanol for 12h; Reflux;

...Expand

: 67-56-1
methanol

: 2Na(1+)*Pd(SCN)4(2-)=Na2Pd(SCN)4

: 7732-18-5
water

: 31430-15-6
flubendazole

: C34H24F2N8O6PdS2*2H2O*3CH4O

Conditions

Conditions	Yield
for 6h; Reflux;

...Expand

: sodium tetrabromopalladate(II)

: 7732-18-5
water

: 31430-15-6
flubendazole

: C32H24Br2F2N6O6Pd*2H2O

Conditions

Conditions	Yield
In methanol for 6h; Reflux;

...Expand

: 2Na(1+)*N4O12Pd(2-)

: 7732-18-5
water

: 31430-15-6
flubendazole

: C32H24F2N8O12Pd*2H2O

Conditions

Conditions	Yield
In methanol for 6h; Reflux;

...Expand

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Specification

The Flubendazole, with the CAS registry number 31430-15-6, is also known as (5-(4-Fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl ester. It belongs to the product categories of Active Pharmaceutical Ingredients;Fluorobenzene.Its EINECS number is 250-624-4. This chemical's molecular formula is C₁₆H₁₂FN₃O₃and molecular weight is 313.29. What's more,Its systematic name is Flubendazole.This product is white or kind of white powder; Odourless. This product is insoluble in methanol and chloroform; Slightly soluble in dilute hydrochloric acid.It is the p-fluoro analog of mebendazole.And its raw materials is fluorobenzene.The Flubendazole is mainly used in pig, poultry, gastrointestinal worm disease.

Physical properties about Flubendazole are:
(1)ACD/LogP: 3.084; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 110.57; (6)ACD/BCF (pH 7.4): 128.55; (7)ACD/KOC (pH 5.5): 964.97; (8)ACD/KOC (pH 7.4): 1121.85; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 82.424 cm³; (14)Molar Volume: 216.865 cm³; (15)Surface Tension: 64.6859970092773 dyne/cm; (16)Density: 1.445 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES:Fc1ccc(cc1)C(=O)c3cc2c(nc(n2)NC(=O)OC)cc3;
(2)Std. InChI:InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22);
(3)Std. InChIKey:CPEUVMUXAHMANV-UHFFFAOYSA-N;