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2-bromo-1- (2,3-dichlorophenyl) ethanone

CAT: 1266-JH674568Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH674568Size:1 Each
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CAS Number
343787-47-3
UN Code
UN2811
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C8H5BrCl2O
Molecular Weight
267.93
Product Name Synonym
3-Pyridinecarboxylic acid, 4,5-dichloro-, methyl ester
Physical Properties
White to slightly brown solid
Hazardous Class
6.1
Safety Statements
S26-S36
Density
2.129g/cm3
Flash Point
129.395oC
RIDADR
UN2811
Melting Point
151-152oC

Chemical Information

2-Bromo-1-(2,3-dichlorophenyl)ethan-1-one
CAS Number343787-47-3
PubChem CID12622480
IUPAC Name2-bromo-1-(2,3-dichlorophenyl)ethanone
Molecular FormulaC8H5BrCl2O
Molecular Weight267.93
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=O)CBr
InChI
InChI=1S/C8H5BrCl2O/c9-4-7(12)5-2-1-3-6(10)8(5)11/h1-3H,4H2
InChIKey
ZXHZSXQLCITUHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-1-(2,3-dichlorophenyl)ethan-1-one
CAS: 343787-47-3
CID: 12622480
Formula: C8H5BrCl2O
MW: 267.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.93
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass265.89008
Monoisotopic Mass265.89008
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
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

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Alternative Products

CatalogName
415624-012-Bromo-1- (3,5-dichlorophenyl) ethanone
sc-2829482-Bromo-1- (2,5-dichlorophenyl) ethanone
sc-2829472-Bromo-1- (2,4-dichlorophenyl) ethanone
sc-321560A2-Bromo-1- (2,6-dichlorophenyl) ethanone
TRC-B419383-10MG1-(2,3-Dichlorophenyl)ethanone
OR1116221- (5-Bromo-2,4-dichlorophenyl) ethanone
AR-K01034-011- (2,4-dichlorophenyl) ethanone
OR1097394-011- (4-Bromo-3,5-dichlorophenyl) ethanone
OR1084500-011- (3,5-dichlorophenyl) -2-methoxy-Ethanone
OR297552-bromo-1-[3- (2,4-dichlorophenyl) -5-methyl-4-isoxazolyl]-1-ethanone

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