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642-84-2,MFCD00059622
Catalog No.:AA003IBN
642-84-2 | 3',4',5-Trichlorosalicylanilide
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Technical Information
Catalog Number:
AA003IBN
Chemical Name:
3',4',5-Trichlorosalicylanilide
CAS Number:
642-84-2
Molecular Formula:
C13H8Cl3NO2
Molecular Weight:
316.5671
MDL Number:
MFCD00059622
IUPAC Name:
5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
InChI:
InChI=1S/C13H8Cl3NO2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,(H,17,19)
InChI Key:
RSJBLPJKXGNMFW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)Cl)O
EC Number:
211-391-4
UNII:
2ZOT9K834Q
NSC Number:
526293
Properties
Computed Properties
 
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.962g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.562g/mol
Monoisotopic Mass:
314.962g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

Synonyms
 
3',4',5-Trichlorosalicylanilide 
Anobial 
5-chloro-N-(3,4-dichlorophenyl)-2-hydroxy-benzamide 
Salicylanilide, chloro- 
C13H8Cl3NO2 
3,4,5-Trichlorosalicylanilide 
3',4'-5-Trichlorosalicylanilide 
EINECS 211-391-4 
NSC 526293 
ACMC-1B8PM 
AC1Q3RB5 
3',5-Trichlorosalicylanilide 
642-84-2 
ZINC939 
SCHEMBL467396 
AC1L2C12 
CHEMBL100633 
Salicylanilide,4',5-trichloro- 
CTK8B2090 
RSJBLPJKXGNMFW-UHFFFAOYSA- 
DTXSID40214407 
KS-000016DV 
ANW-34844 
5-Chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide 
MFCD00059622 
NSC526293 
AKOS005855751 
Salicylanilide, 3',4',5-trichloro- 
MCULE-1746843231 
NSC-526293 
Benzamide,4-dichlorophenyl)-2-hydroxy- 
ZB000209 
TC-123589 
TL8004546 
Chlorosalnide 
FT-0709728 
X4605 
InChI=1/C13H8Cl3NO2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,(H,17,19) 
C13-H8-Cl3-N-O2 
CID69506 
AR-1E9002 
T0668 
6624-46-0 
UNII-2ZOT9K834Q 
CHLOROSALICYLANILIDE 
2ZOT9K834Q 
RSJBLPJKXGNMFW-UHFFFAOYSA-N 
Benzamide, 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxy- 
Literature

Title: New derivatives of salicylamides: Preparation and antimicrobial activity against various bacterial species.

Journal: Bioorganic & medicinal chemistry 20131101

Title: Antimycobacterial assessment of Salicylanilide benzoates including multidrug-resistant tuberculosis strains.

Journal: Molecules (Basel, Switzerland) 20121031

Title: Synthesis and in vitro antimycobacterial activity of 2-methoxybenzanilides and their thioxo analogues.

Journal: European journal of medicinal chemistry 20121001

Title: Salicylanilide derivatives block Mycobacterium tuberculosis through inhibition of isocitrate lyase and methionine aminopeptidase.

Journal: Tuberculosis (Edinburgh, Scotland) 20120901

Title: Salicylanilides: selective inhibitors of interleukin-12p40 production.

Journal: Bioorganic & medicinal chemistry 20080915

Title: Relationship between the structure and antimycobacterial activity of substituted salicylanilides.

Journal: Archiv der Pharmazie 20030301

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