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Boscalid

CAT: 1596-AR-B01900-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01900-03Size:50 Units
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CAS Number
188425-85-6
Synonyms
BOSCALID; NICOBIFEN;2-Chloro-N- (4'-chloro-[1,1'-biphenyl]-2-yl),2-CHLORO-N- (4'-CHLORO-2-BIPHENYLYL) NICOTINAMIDE;2-CHLORO-N- (4'-CHLOROBIPHENYL-2-YL) -NICOTINAMIDE-Chloro-N- (4'-chloro-[1,1'-biphenyl]-2-yl) nicotinaMide;2-Chloro-N- (4?-chloro-2-biphenylyl) nicotinamide; Nicobifen;2-CHLORO-N-[2- (4-CHLOROPHENYL) PHENYL]-PYRIDINE-3-CARBOXAMIDE;3-PyridinecarboxaMide,2-chloro-N- (4'-chloro[1,1'-biphenyl]-2-yl) -.
Molecular Formula
C18H12Cl2N2O
Molecular Weight
343.22
API Name
Boscalid

Chemical Information

Boscalid

Boscalid is a pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. It has a role as a xenobiotic, an environmental contaminant, an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is a member of biphenyls, a pyridinecarboxamide, a member of monochlorobenzenes and an anilide fungicide. It is functionally related to a nicotinic acid.

CAS Number188425-85-6
PubChem CID213013
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.2
XLogP4.9
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl
InChI
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
InChIKey
WYEMLYFITZORAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boscalid
CAS: 188425-85-6
CID: 213013
Formula: C18H12Cl2N2O
MW: 343.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.2
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass342.0326684
Monoisotopic Mass342.0326684
Topological Polar Surface Area42 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-T-07785Boscalid
TRC-B675852-1MGBoscalid-d4
HY-119976R-01Boscalid (Standard)
CS-O-63430Boscalid metabolite M510F02
CS-T-103106Boscalid Metabolite M510F01-D4
P253041Boscalid [CAS:188425-85-6] 100mg/l in Acetonitrile

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